2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate

C103H171N21O51 — CID 58715719

IUPAC2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate
SMILESCCCOC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)OCCC)CC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CC(C)=O
InChIInChI=1S/C103H171N21O51/c1-10-32-168-96(146)110-60-88(138)160-46-24-121(25-47-161-89(139)61-111-97(147)169-33-11-2)71-78(128)106-56-84(134)156-42-20-119(21-43-157-85(135)57-107-79(129)72-122(26-48-162-90(140)62-112-98(148)170-34-12-3)27-49-163-91(141)63-113-99(149)171-35-13-4)69-76(126)104-54-82(132)154-40-18-118(68-75(9)125)19-41-155-83(133)55-105-77(127)70-120(22-44-158-86(136)58-108-80(130)73-123(28-50-164-92(142)64-114-100(150)172-36-14-5)29-51-165-93(143)65-115-101(151)173-37-15-6)23-45-159-87(137)59-109-81(131)74-124(30-52-166-94(144)66-116-102(152)174-38-16-7)31-53-167-95(145)67-117-103(153)175-39-17-8/h10-74H2,1-9H3,(H,104,126)(H,105,127)(H,106,128)(H,107,129)(H,108,130)(H,109,131)(H,110,146)(H,111,147)(H,112,148)(H,113,149)(H,114,150)(H,115,151)(H,116,152)(H,117,153)
InChIKeyIJVWRYWJRAHDPE-UHFFFAOYSA-N
MW2519.60 g/mol
LogP-7.92
Rot. Bonds100

About 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate

2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate (PubChem CID 58715719) has the molecular formula C103H171N21O51 and a molecular weight of 2519.60 g/mol. Its IUPAC name is 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Name2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate
PubChem CID58715719
Molecular FormulaC103H171N21O51
Molecular Weight2519.60 g/mol
Exact Mass2518.14
IUPAC Name2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate
SMILESCCCOC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)OCCC)CC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CC(C)=O
InChIInChI=1S/C103H171N21O51/c1-10-32-168-96(146)110-60-88(138)160-46-24-121(25-47-161-89(139)61-111-97(147)169-33-11-2)71-78(128)106-56-84(134)156-42-20-119(21-43-157-85(135)57-107-79(129)72-122(26-48-162-90(140)62-112-98(148)170-34-12-3)27-49-163-91(141)63-113-99(149)171-35-13-4)69-76(126)104-54-82(132)154-40-18-118(68-75(9)125)19-41-155-83(133)55-105-77(127)70-120(22-44-158-86(136)58-108-80(130)73-123(28-50-164-92(142)64-114-100(150)172-36-14-5)29-51-165-93(143)65-115-101(151)173-37-15-6)23-45-159-87(137)59-109-81(131)74-124(30-52-166-94(144)66-116-102(152)174-38-16-7)31-53-167-95(145)67-117-103(153)175-39-17-8/h10-74H2,1-9H3,(H,104,126)(H,105,127)(H,106,128)(H,107,129)(H,108,130)(H,109,131)(H,110,146)(H,111,147)(H,112,148)(H,113,149)(H,114,150)(H,115,151)(H,116,152)(H,117,153)
InChIKeyIJVWRYWJRAHDPE-UHFFFAOYSA-N
XLogP-7.92
TPSA889.19 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds100
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002519.60
LogP ≤ 5-7.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate
CID 59770643
3-[[2-[bis[2-[2-[2-oxo-2-[3-(propoxycarbonylamino)propoxy]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]propyl 2-[2-[2-[2-[2-[2-[3-[[2-[bis[2-[2-[2-oxo-2-[3-(propoxycarbonylamino)propoxy]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]propoxy]-2-oxoethoxy]acetyl]oxyethyl-ethylamino]ethoxy]-2-oxoethoxy]acetate
CID 90692797
ethyl 2-[[2-(dihexylamino)acetyl]amino]acetate
CID 10616283
2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate
CID 58715725
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
CID 58962211
CID 58962211
2-[methyl-[2-[2-[2-oxo-2-[2-[2-[2-[[2-[2-[2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-[2-[2-[2-oxo-2-[3-[2-(propoxycarbonylamino)ethoxy]propoxymethylamino]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]ethoxy]ethoxy]ethylamino]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-[[2-[2-[2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-[2-[2-[2-oxo-2-[3-[2-(propoxycarbonylamino)ethoxy]propoxymethylamino]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]ethoxy]ethoxy]ethylamino]ethoxy]acetate
CID 58922172
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
3-(3-methoxypropoxycarbonylamino)propyl 2-[2-[2-[2-acetyloxyethyl(2-oxopropyl)amino]ethoxy]-2-oxoethoxy]acetate
CID 58922174

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate?
The IUPAC name of 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate (CID 58715719) is 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate.
What is the SMILES notation for 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate?
The canonical SMILES for 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate is CCCOC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)OCCC)CC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)CN(CCOC(=O)CNC(=O)OCCC)CCOC(=O)CNC(=O)OCCC)CC(C)=O.
What is the InChIKey of 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate?
The InChIKey is IJVWRYWJRAHDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H171N21O51/c1-10-32-168-96(146)110-60-88(138)160-46-24-121(25-47-161-89(139)61-111-97(147)169-33-11-2)71-78(128)106-56-84(134)156-42-20-119(21-43-157-85(135)57-107-79(129)72-122(26-48-162-90(140)62-112-98(148)170-34-12-3)27-49-163-91(141)63-113-99(149)171-35-13-4)69-76(126)104-54-82(132)154-40-18-118(68-75(9)125)19-41-155-83(133)55-105-77(127)70-120(22-44-158-86(136)58-108-80(130)73-123(28-50-164-92(142)64-114-100(150)172-36-14-5)29-51-165-93(143)65-115-101(151)173-37-15-6)23-45-159-87(137)59-109-81(131)74-124(30-52-166-94(144)66-116-102(152)174-38-16-7)31-53-167-95(145)67-117-103(153)175-39-17-8/h10-74H2,1-9H3,(H,104,126)(H,105,127)(H,106,128)(H,107,129)(H,108,130)(H,109,131)(H,110,146)(H,111,147)(H,112,148)(H,113,149)(H,114,150)(H,115,151)(H,116,152)(H,117,153).
What are the key properties of 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate?
2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate has a molecular weight of 2519.60 g/mol, XLogP of -7.92, 100 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 58715719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).