(2S)-2-amino-3-methylidenepentanoic acid

C6H11NO2 — CID 18635633

IUPAC(2S)-2-amino-3-methylidenepentanoic acid
SMILESC=C(CC)[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeySBTLHKXSISNXTP-YFKPBYRVSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-amino-3-methylidenepentanoic acid

(2S)-2-amino-3-methylidenepentanoic acid (PubChem CID 18635633) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2-amino-3-methylidenepentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylidenepentanoic acid
PubChem CID18635633
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-2-amino-3-methylidenepentanoic acid
SMILESC=C(CC)[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeySBTLHKXSISNXTP-YFKPBYRVSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
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 (2S)-2-amino-3-methylidenepentanoic acid?
The IUPAC name of (2S)-2-amino-3-methylidenepentanoic acid (CID 18635633) is (2S)-2-amino-3-methylidenepentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methylidenepentanoic acid?
The canonical SMILES for (2S)-2-amino-3-methylidenepentanoic acid is C=C(CC)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylidenepentanoic acid?
The InChIKey is SBTLHKXSISNXTP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-methylidenepentanoic acid?
(2S)-2-amino-3-methylidenepentanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.36, 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-methylidenepentanoic acid is sourced from PubChem (CID 18635633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).