4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid

C10H16N2O3 — CID 79208533

IUPAC4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC[C@H](N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-2-8(11)9(13)12-7-4-3-6(5-7)10(14)15/h3-4,6-8H,2,5,11H2,1H3,(H,12,13)(H,14,15)/t6?,7?,8-/m0/s1
InChIKeyQIJCTBFMWFJKLJ-RRQHEKLDSA-N
MW212.25 g/mol
LogP-0.13
Rot. Bonds4

About 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208533) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79208533
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC[C@H](N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-2-8(11)9(13)12-7-4-3-6(5-7)10(14)15/h3-4,6-8H,2,5,11H2,1H3,(H,12,13)(H,14,15)/t6?,7?,8-/m0/s1
InChIKeyQIJCTBFMWFJKLJ-RRQHEKLDSA-N
XLogP-0.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79208533) is 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid is CC[C@H](N)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is QIJCTBFMWFJKLJ-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-8(11)9(13)12-7-4-3-6(5-7)10(14)15/h3-4,6-8H,2,5,11H2,1H3,(H,12,13)(H,14,15)/t6?,7?,8-/m0/s1.
What are the key properties of 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).