(1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid

C7H11NO2 — CID 5275658

IUPAC(1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid
SMILESCC1=C[C@H](N)[C@H](C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h3,5-6H,2,8H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyJHTWYDHODRPLCW-RITPCOANSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds1

About (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid

(1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid (PubChem CID 5275658) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid
PubChem CID5275658
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid
SMILESCC1=C[C@H](N)[C@H](C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h3,5-6H,2,8H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyJHTWYDHODRPLCW-RITPCOANSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
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 (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid?
The IUPAC name of (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid (CID 5275658) is (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid is CC1=C[C@H](N)[C@H](C(=O)O)C1.
What is the InChIKey of (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid?
The InChIKey is JHTWYDHODRPLCW-RITPCOANSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h3,5-6H,2,8H2,1H3,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid?
(1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-4-methylcyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 5275658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).