(2S)-2-(methylamino)pent-4-enoic acid

C6H11NO2 — CID 59453703

IUPAC(2S)-2-(methylamino)pent-4-enoic acid
SMILESC=CC[C@H](NC)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-5(7-2)6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyJVZGXNOECLGJAU-YFKPBYRVSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds4

About (2S)-2-(methylamino)pent-4-enoic acid

(2S)-2-(methylamino)pent-4-enoic acid (PubChem CID 59453703) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2-(methylamino)pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)pent-4-enoic acid
PubChem CID59453703
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-2-(methylamino)pent-4-enoic acid
SMILESC=CC[C@H](NC)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-5(7-2)6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyJVZGXNOECLGJAU-YFKPBYRVSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
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-(methylamino)pent-4-enoic acid?
The IUPAC name of (2S)-2-(methylamino)pent-4-enoic acid (CID 59453703) is (2S)-2-(methylamino)pent-4-enoic acid.
What is the SMILES notation for (2S)-2-(methylamino)pent-4-enoic acid?
The canonical SMILES for (2S)-2-(methylamino)pent-4-enoic acid is C=CC[C@H](NC)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)pent-4-enoic acid?
The InChIKey is JVZGXNOECLGJAU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5(7-2)6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(methylamino)pent-4-enoic acid?
(2S)-2-(methylamino)pent-4-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)pent-4-enoic acid is sourced from PubChem (CID 59453703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).