(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide

C9H19NO3 — CID 134189475

IUPAC(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
SMILESCC[C@@H](O)CNC(=O)[C@@H](O)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-7(11)5-10-9(13)8(12)6(2)3/h6-8,11-12H,4-5H2,1-3H3,(H,10,13)/t7-,8+/m1/s1
InChIKeyPHPYKEVHVMKSOH-SFYZADRCSA-N
MW189.25 g/mol
LogP-0.11
Rot. Bonds5

About (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide

(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide (PubChem CID 134189475) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
PubChem CID134189475
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
SMILESCC[C@@H](O)CNC(=O)[C@@H](O)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-7(11)5-10-9(13)8(12)6(2)3/h6-8,11-12H,4-5H2,1-3H3,(H,10,13)/t7-,8+/m1/s1
InChIKeyPHPYKEVHVMKSOH-SFYZADRCSA-N
XLogP-0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
N-(2,2-dihydroxyethyl)-2-methylpropanamide;N-[(2R)-2-hydroxybutyl]-3-methyl-2-oxobutanamide;(2S)-2-hydroxy-N-(2-hydroxybutyl)-3-methylbutanamide;2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide;(3S)-3-hydroxy-4-methylpentan-2-one;methane
CID 158213245
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
N'-(2-hydroxybutyl)oxamide
CID 175586464
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide
CID 59918479
2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide
CID 163496869
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide
CID 90334941
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide (CID 134189475) is (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide is CC[C@@H](O)CNC(=O)[C@@H](O)C(C)C.
What is the InChIKey of (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide?
The InChIKey is PHPYKEVHVMKSOH-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-7(11)5-10-9(13)8(12)6(2)3/h6-8,11-12H,4-5H2,1-3H3,(H,10,13)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide?
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide has a molecular weight of 189.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide is sourced from PubChem (CID 134189475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).