(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid

C8H13NO2 — CID 11252133

IUPAC(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid
SMILESC[C@H]1C=C[C@H]([C@H](N)C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-5-2-3-6(4-5)7(9)8(10)11/h2-3,5-7H,4,9H2,1H3,(H,10,11)/t5-,6-,7-/m0/s1
InChIKeyMLYJMHSOUKWHHS-ACZMJKKPSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds2

About (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid

(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid (PubChem CID 11252133) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid
PubChem CID11252133
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid
SMILESC[C@H]1C=C[C@H]([C@H](N)C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-5-2-3-6(4-5)7(9)8(10)11/h2-3,5-7H,4,9H2,1H3,(H,10,11)/t5-,6-,7-/m0/s1
InChIKeyMLYJMHSOUKWHHS-ACZMJKKPSA-N
XLogP0.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid (CID 11252133) is (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid is C[C@H]1C=C[C@H]([C@H](N)C(=O)O)C1.
What is the InChIKey of (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid?
The InChIKey is MLYJMHSOUKWHHS-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-2-3-6(4-5)7(9)8(10)11/h2-3,5-7H,4,9H2,1H3,(H,10,11)/t5-,6-,7-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid?
(2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid has a molecular weight of 155.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 11252133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).