2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid

C9H13NO4 — CID 67859774

IUPAC2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(C(=O)O)C([C@H](N)C(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-4-2-5(7(10)9(13)14)6(3-4)8(11)12/h5-7H,1-3,10H2,(H,11,12)(H,13,14)/t5?,6?,7-/m0/s1
InChIKeyKHLMWBMRPCZUQQ-AHXFUIDQSA-N
MW199.21 g/mol
LogP0.07
Rot. Bonds3

About 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid

2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 67859774) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID67859774
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(C(=O)O)C([C@H](N)C(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-4-2-5(7(10)9(13)14)6(3-4)8(11)12/h5-7H,1-3,10H2,(H,11,12)(H,13,14)/t5?,6?,7-/m0/s1
InChIKeyKHLMWBMRPCZUQQ-AHXFUIDQSA-N
XLogP0.07
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-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

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid (CID 67859774) is 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid is C=C1CC(C(=O)O)C([C@H](N)C(=O)O)C1.
What is the InChIKey of 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is KHLMWBMRPCZUQQ-AHXFUIDQSA-N. The full InChI is InChI=1S/C9H13NO4/c1-4-2-5(7(10)9(13)14)6(3-4)8(11)12/h5-7H,1-3,10H2,(H,11,12)(H,13,14)/t5?,6?,7-/m0/s1.
What are the key properties of 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 67859774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).