(1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid

C8H11NO4 — CID 10313423

IUPAC(1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid
SMILESC=C[C@H]1[C@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O
InChIInChI=1S/C8H11NO4/c1-2-3-4(5(3)7(10)11)6(9)8(12)13/h2-6H,1,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,6+/m1/s1
InChIKeyAUDVBDNDYZKMMM-ZXXMMSQZSA-N
MW185.18 g/mol
LogP-0.47
Rot. Bonds4

About (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid

(1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid (PubChem CID 10313423) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid
PubChem CID10313423
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid
SMILESC=C[C@H]1[C@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O
InChIInChI=1S/C8H11NO4/c1-2-3-4(5(3)7(10)11)6(9)8(12)13/h2-6H,1,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,6+/m1/s1
InChIKeyAUDVBDNDYZKMMM-ZXXMMSQZSA-N
XLogP-0.47
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-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 (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid (CID 10313423) is (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid is C=C[C@H]1[C@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O.
What is the InChIKey of (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid?
The InChIKey is AUDVBDNDYZKMMM-ZXXMMSQZSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-4(5(3)7(10)11)6(9)8(12)13/h2-6H,1,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,6+/m1/s1.
What are the key properties of (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid?
(1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-ethenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10313423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).