4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid

C11H18N2O3 — CID 107570050

IUPAC4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h4-5,7-9H,2-3,6,12H2,1H3,(H,13,14)(H,15,16)/t7?,8?,9-/m1/s1
InChIKeyYVFFANSKOCYZDS-AMDVSUOASA-N
MW226.28 g/mol
LogP0.26
Rot. Bonds5

About 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 107570050) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID107570050
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h4-5,7-9H,2-3,6,12H2,1H3,(H,13,14)(H,15,16)/t7?,8?,9-/m1/s1
InChIKeyYVFFANSKOCYZDS-AMDVSUOASA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209796
4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 104685292
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209810
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216040
4-[(2-acetamido-3-methylbutanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209010
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid
CID 107986819
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 107570050) is 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid is CCC[C@@H](N)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is YVFFANSKOCYZDS-AMDVSUOASA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-9(12)10(14)13-8-5-4-7(6-8)11(15)16/h4-5,7-9H,2-3,6,12H2,1H3,(H,13,14)(H,15,16)/t7?,8?,9-/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopentanoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 107570050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).