(2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide

C10H19NO2 — CID 134917585

IUPAC(2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide
SMILESC=C[C@H](C)[C@@H](O)C(=O)NCCCC
InChIInChI=1S/C10H19NO2/c1-4-6-7-11-10(13)9(12)8(3)5-2/h5,8-9,12H,2,4,6-7H2,1,3H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyPYKIEYOLXBNQDR-DTWKUNHWSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds6

About (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide

(2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide (PubChem CID 134917585) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide
PubChem CID134917585
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide
SMILESC=C[C@H](C)[C@@H](O)C(=O)NCCCC
InChIInChI=1S/C10H19NO2/c1-4-6-7-11-10(13)9(12)8(3)5-2/h5,8-9,12H,2,4,6-7H2,1,3H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyPYKIEYOLXBNQDR-DTWKUNHWSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide?
The IUPAC name of (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide (CID 134917585) is (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide.
What is the SMILES notation for (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide?
The canonical SMILES for (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide is C=C[C@H](C)[C@@H](O)C(=O)NCCCC.
What is the InChIKey of (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide?
The InChIKey is PYKIEYOLXBNQDR-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-11-10(13)9(12)8(3)5-2/h5,8-9,12H,2,4,6-7H2,1,3H3,(H,11,13)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide?
(2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-butyl-2-hydroxy-3-methylpent-4-enamide is sourced from PubChem (CID 134917585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).