5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid

C12H22N2O3 — CID 112547802

IUPAC5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)5-4-8-14-11(17)12(13)6-2-3-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyMLNBNCRYTCKRMV-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds6

About 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid

5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid (PubChem CID 112547802) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
PubChem CID112547802
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)5-4-8-14-11(17)12(13)6-2-3-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyMLNBNCRYTCKRMV-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
1-amino-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 81167864
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
(2S)-4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 114006870
4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107836020

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid (CID 112547802) is 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid is CC(CCCNC(=O)C1(N)CCCC1)C(=O)O.
What is the InChIKey of 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
The InChIKey is MLNBNCRYTCKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(15)16)5-4-8-14-11(17)12(13)6-2-3-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid?
5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 112547802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).