(2S)-2-acetamidopent-4-enoic acid

C7H11NO3 — CID 15674252

IUPAC(2S)-2-acetamidopent-4-enoic acid
SMILESC=CC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyQTNLDKHXFVSKCF-LURJTMIESA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-acetamidopent-4-enoic acid

(2S)-2-acetamidopent-4-enoic acid (PubChem CID 15674252) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-2-acetamidopent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-acetamidopent-4-enoic acid
PubChem CID15674252
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S)-2-acetamidopent-4-enoic acid
SMILESC=CC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyQTNLDKHXFVSKCF-LURJTMIESA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Acetamidopent-4-enoic acid
CID 321142
Vinylacetylglycine
CID 53477718
(2S,3R)-2-trifluoroacetylamino-3-methyl-4-pentenoic acid
CID 11770121
(2S,3S)-2-[(Trifluoroacetyl)amino]-3-methyl-4-pentenoic acid
CID 101079858
2-[(2-Chloroacetyl)amino]-4-pentenoic acid
CID 321146
Pent-3-enoylamino-acetic acid
CID 5935323
2-((4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenamido)propanoic acid
CID 16759339
(2S)-2-(hex-5-enamido)-3-methylbutanoic acid
CID 119359893
2-Acetamidohex-4-enoic acid
CID 19364695
Glycine, N-(1-oxo-4-pentenyl)-
CID 45082235
2-(Docosa-4,7,10,13,16,19-hexaenoylamino)propanoic acid
CID 73324766
(Z)-2-acetamidohex-4-enoic acid
CID 88140575

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamidopent-4-enoic acid?
The IUPAC name of (2S)-2-acetamidopent-4-enoic acid (CID 15674252) is (2S)-2-acetamidopent-4-enoic acid.
What is the SMILES notation for (2S)-2-acetamidopent-4-enoic acid?
The canonical SMILES for (2S)-2-acetamidopent-4-enoic acid is C=CC[C@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2S)-2-acetamidopent-4-enoic acid?
The InChIKey is QTNLDKHXFVSKCF-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamidopent-4-enoic acid?
(2S)-2-acetamidopent-4-enoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamidopent-4-enoic acid is sourced from PubChem (CID 15674252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).