2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid

C12H21N3O7 — CID 163570676

IUPAC2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid
SMILESCC(C)OC(=O)NCC(=O)NCCNC(=O)COCC(=O)O
InChIInChI=1S/C12H21N3O7/c1-8(2)22-12(20)15-5-9(16)13-3-4-14-10(17)6-21-7-11(18)19/h8H,3-7H2,1-2H3,(H,13,16)(H,14,17)(H,15,20)(H,18,19)
InChIKeyFZBFBNVLSSLMSM-UHFFFAOYSA-N
MW319.31 g/mol
LogP-1.55
Rot. Bonds10

About 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid

2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid (PubChem CID 163570676) has the molecular formula C12H21N3O7 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid
PubChem CID163570676
Molecular FormulaC12H21N3O7
Molecular Weight319.31 g/mol
Exact Mass319.14
IUPAC Name2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid
SMILESCC(C)OC(=O)NCC(=O)NCCNC(=O)COCC(=O)O
InChIInChI=1S/C12H21N3O7/c1-8(2)22-12(20)15-5-9(16)13-3-4-14-10(17)6-21-7-11(18)19/h8H,3-7H2,1-2H3,(H,13,16)(H,14,17)(H,15,20)(H,18,19)
InChIKeyFZBFBNVLSSLMSM-UHFFFAOYSA-N
XLogP-1.55
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 146240259
2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 61403571
2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
CID 61328234
2-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 53211349
propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162683918
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
4-[2-(propan-2-yloxycarbonylamino)acetyl]oxybutanoic acid
CID 126736416
2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
CID 79558619
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid (CID 163570676) is 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid is CC(C)OC(=O)NCC(=O)NCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid?
The InChIKey is FZBFBNVLSSLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O7/c1-8(2)22-12(20)15-5-9(16)13-3-4-14-10(17)6-21-7-11(18)19/h8H,3-7H2,1-2H3,(H,13,16)(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid?
2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid has a molecular weight of 319.31 g/mol, XLogP of -1.55, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid is sourced from PubChem (CID 163570676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).