(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid

C7H14N2O2 — CID 11768839

IUPAC(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid
SMILESCC[C@@H]1C[C@]1(N)[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-4-3-7(4,9)5(8)6(10)11/h4-5H,2-3,8-9H2,1H3,(H,10,11)/t4-,5-,7-/m1/s1
InChIKeyOYPMQXKOMPYPMV-WYDQCIBASA-N
MW158.20 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid

(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid (PubChem CID 11768839) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid
PubChem CID11768839
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid
SMILESCC[C@@H]1C[C@]1(N)[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-4-3-7(4,9)5(8)6(10)11/h4-5H,2-3,8-9H2,1H3,(H,10,11)/t4-,5-,7-/m1/s1
InChIKeyOYPMQXKOMPYPMV-WYDQCIBASA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic 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 (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid (CID 11768839) is (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid is CC[C@@H]1C[C@]1(N)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid?
The InChIKey is OYPMQXKOMPYPMV-WYDQCIBASA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-4-3-7(4,9)5(8)6(10)11/h4-5H,2-3,8-9H2,1H3,(H,10,11)/t4-,5-,7-/m1/s1.
What are the key properties of (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid?
(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid is sourced from PubChem (CID 11768839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).