1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid

C18H31N3O6 — CID 142400130

IUPAC1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid
SMILESCCCC[C@H](NC(=O)CN(C)CC(=O)NC1(C(=O)O)CC1CCC)C(=O)O
InChIInChI=1S/C18H31N3O6/c1-4-6-8-13(16(24)25)19-14(22)10-21(3)11-15(23)20-18(17(26)27)9-12(18)7-5-2/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)(H,26,27)/t12?,13-,18?/m0/s1
InChIKeyIDCYFNPDVDIGIL-XYEKJYRLSA-N
MW385.46 g/mol
LogP0.44
Rot. Bonds13

About 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid

1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid (PubChem CID 142400130) has the molecular formula C18H31N3O6 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid
PubChem CID142400130
Molecular FormulaC18H31N3O6
Molecular Weight385.46 g/mol
Exact Mass385.22
IUPAC Name1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid
SMILESCCCC[C@H](NC(=O)CN(C)CC(=O)NC1(C(=O)O)CC1CCC)C(=O)O
InChIInChI=1S/C18H31N3O6/c1-4-6-8-13(16(24)25)19-14(22)10-21(3)11-15(23)20-18(17(26)27)9-12(18)7-5-2/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)(H,26,27)/t12?,13-,18?/m0/s1
InChIKeyIDCYFNPDVDIGIL-XYEKJYRLSA-N
XLogP0.44
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid 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

2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
CID 107564391
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
2-[(2-butylsulfanylacetyl)amino]hexanoic acid
CID 43469712
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid
CID 61199942
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]hexanoic acid
CID 120614783
2-[(2-propan-2-ylsulfanylacetyl)amino]hexanoic acid
CID 43469805

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid (CID 142400130) is 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid is CCCC[C@H](NC(=O)CN(C)CC(=O)NC1(C(=O)O)CC1CCC)C(=O)O.
What is the InChIKey of 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid?
The InChIKey is IDCYFNPDVDIGIL-XYEKJYRLSA-N. The full InChI is InChI=1S/C18H31N3O6/c1-4-6-8-13(16(24)25)19-14(22)10-21(3)11-15(23)20-18(17(26)27)9-12(18)7-5-2/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)(H,26,27)/t12?,13-,18?/m0/s1.
What are the key properties of 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid?
1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid has a molecular weight of 385.46 g/mol, XLogP of 0.44, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[2-[[(1S)-1-carboxypentyl]amino]-2-oxoethyl]-methylamino]acetyl]amino]-2-propylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 142400130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).