4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid

C10H17NO4 — CID 10976838

IUPAC4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid
SMILESC/C(=C/C(=O)NCCCC(=O)O)CCO
InChIInChI=1S/C10H17NO4/c1-8(4-6-12)7-9(13)11-5-2-3-10(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15)/b8-7-
InChIKeyCPVSDCNZYNEHTP-FPLPWBNLSA-N
MW215.25 g/mol
LogP0.30
Rot. Bonds7

About 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid

4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid (PubChem CID 10976838) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid
PubChem CID10976838
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid
SMILESC/C(=C/C(=O)NCCCC(=O)O)CCO
InChIInChI=1S/C10H17NO4/c1-8(4-6-12)7-9(13)11-5-2-3-10(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15)/b8-7-
InChIKeyCPVSDCNZYNEHTP-FPLPWBNLSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid?
The IUPAC name of 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid (CID 10976838) is 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid is C/C(=C/C(=O)NCCCC(=O)O)CCO.
What is the InChIKey of 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid?
The InChIKey is CPVSDCNZYNEHTP-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(4-6-12)7-9(13)11-5-2-3-10(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15)/b8-7-.
What are the key properties of 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid?
4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid is sourced from PubChem (CID 10976838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).