3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid

C43H62N8O25 — CID 58536616

IUPAC3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(C)=O
InChIInChI=1S/C43H62N8O25/c1-27(52)19-45(12-4-37(63)64)30(55)21-47(14-6-39(67)68)32(57)23-49(16-8-41(71)72)34(59)25-51(18-10-43(75)76)35(60)26-50(17-9-42(73)74)33(58)24-48(15-7-40(69)70)31(56)22-46(13-5-38(65)66)29(54)20-44(28(2)53)11-3-36(61)62/h3-26H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)
InChIKeyPHBSXPOIHAOVAY-UHFFFAOYSA-N
MW1091.00 g/mol
LogP-4.98
Rot. Bonds40

About 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid

3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 58536616) has the molecular formula C43H62N8O25 and a molecular weight of 1091.00 g/mol. Its IUPAC name is 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid
PubChem CID58536616
Molecular FormulaC43H62N8O25
Molecular Weight1091.00 g/mol
Exact Mass1090.38
IUPAC Name3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(C)=O
InChIInChI=1S/C43H62N8O25/c1-27(52)19-45(12-4-37(63)64)30(55)21-47(14-6-39(67)68)32(57)23-49(16-8-41(71)72)34(59)25-51(18-10-43(75)76)35(60)26-50(17-9-42(73)74)33(58)24-48(15-7-40(69)70)31(56)22-46(13-5-38(65)66)29(54)20-44(28(2)53)11-3-36(61)62/h3-26H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)
InChIKeyPHBSXPOIHAOVAY-UHFFFAOYSA-N
XLogP-4.98
TPSA477.95 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds40
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.00
LogP ≤ 5-4.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
CID 91150054
3-[carboxymethyl(3-methylbut-2-enoyl)amino]propanoic acid
CID 82326154
2-[acetyl(propyl)amino]acetic acid
CID 23279438
3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60989976
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
2-[[2-[acetyl(benzyl)amino]acetyl]-(4-aminobutyl)amino]-N-[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[4-aminobutyl-[2-[benzyl-[2-[benzyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-benzylacetamide
CID 58372499
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
N-(2-aminoethyl)-N-(2-oxopropyl)butanamide
CID 23592986
3-[decanoyl(2-oxoundecyl)amino]propanoic acid
CID 139936744
3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid
CID 82323149

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid (CID 58536616) is 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid is CC(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(=O)CN(CCC(=O)O)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is PHBSXPOIHAOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H62N8O25/c1-27(52)19-45(12-4-37(63)64)30(55)21-47(14-6-39(67)68)32(57)23-49(16-8-41(71)72)34(59)25-51(18-10-43(75)76)35(60)26-50(17-9-42(73)74)33(58)24-48(15-7-40(69)70)31(56)22-46(13-5-38(65)66)29(54)20-44(28(2)53)11-3-36(61)62/h3-26H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76).
What are the key properties of 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid?
3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 1091.00 g/mol, XLogP of -4.98, 40 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl-[2-[2-carboxyethyl(2-oxopropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 58536616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).