(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid

C9H13NO2 — CID 100928165

IUPAC(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
SMILESN[C@@H](CC1CC1=C1CC1)C(=O)O
InChIInChI=1S/C9H13NO2/c10-8(9(11)12)4-6-3-7(6)5-1-2-5/h6,8H,1-4,10H2,(H,11,12)/t6?,8-/m0/s1
InChIKeyFKNIYHMCJSWFHG-XDKWHASVSA-N
MW167.21 g/mol
LogP0.90
Rot. Bonds3

About (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid

(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid (PubChem CID 100928165) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
PubChem CID100928165
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
SMILESN[C@@H](CC1CC1=C1CC1)C(=O)O
InChIInChI=1S/C9H13NO2/c10-8(9(11)12)4-6-3-7(6)5-1-2-5/h6,8H,1-4,10H2,(H,11,12)/t6?,8-/m0/s1
InChIKeyFKNIYHMCJSWFHG-XDKWHASVSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
CID 10943157
(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10998047
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
2-amino-3-(5-methyl-2-oxocyclohexyl)propanoic acid
CID 123873971
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid
CID 100928166
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
(2S)-2-amino-3-[(2R,3R)-3-methylthiiran-2-yl]propanoic acid
CID 57340121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid (CID 100928165) is (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid is N[C@@H](CC1CC1=C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid?
The InChIKey is FKNIYHMCJSWFHG-XDKWHASVSA-N. The full InChI is InChI=1S/C9H13NO2/c10-8(9(11)12)4-6-3-7(6)5-1-2-5/h6,8H,1-4,10H2,(H,11,12)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid?
(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid has a molecular weight of 167.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid is sourced from PubChem (CID 100928165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).