2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid

C9H16N2O3 — CID 65463645

IUPAC2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1(N)CC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-3-6(7(12)13)11-8(14)9(10)4-5-9/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyWARCUPRJKPBDCE-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.15
Rot. Bonds5

About 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid

2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid (PubChem CID 65463645) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
PubChem CID65463645
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1(N)CC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-3-6(7(12)13)11-8(14)9(10)4-5-9/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyWARCUPRJKPBDCE-UHFFFAOYSA-N
XLogP-0.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61160012
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 115923942
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 107565154
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid (CID 65463645) is 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid is CCCC(NC(=O)C1(N)CC1)C(=O)O.
What is the InChIKey of 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid?
The InChIKey is WARCUPRJKPBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-6(7(12)13)11-8(14)9(10)4-5-9/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid?
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 65463645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).