(2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid

C8H13NO2 — CID 54153311

IUPAC(2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid
SMILESC=C1CC1C(C)[C@H](N)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-3-6(4)5(2)7(9)8(10)11/h5-7H,1,3,9H2,2H3,(H,10,11)/t5?,6?,7-/m0/s1
InChIKeyOJGYMABOCUEUFF-AHXFUIDQSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds3

About (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid

(2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid (PubChem CID 54153311) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid
PubChem CID54153311
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid
SMILESC=C1CC1C(C)[C@H](N)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-3-6(4)5(2)7(9)8(10)11/h5-7H,1,3,9H2,2H3,(H,10,11)/t5?,6?,7-/m0/s1
InChIKeyOJGYMABOCUEUFF-AHXFUIDQSA-N
XLogP0.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid (CID 54153311) is (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid is C=C1CC1C(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid?
The InChIKey is OJGYMABOCUEUFF-AHXFUIDQSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-3-6(4)5(2)7(9)8(10)11/h5-7H,1,3,9H2,2H3,(H,10,11)/t5?,6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid?
(2S)-2-amino-3-(2-methylidenecyclopropyl)butanoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.61, 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-methylidenecyclopropyl)butanoic acid is sourced from PubChem (CID 54153311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).