N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide

C9H19NO3 — CID 44421758

IUPACN-[(2S)-1,3-dihydroxybutan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H](CO)C(C)O
InChIInChI=1S/C9H19NO3/c1-6(2)4-9(13)10-8(5-11)7(3)12/h6-8,11-12H,4-5H2,1-3H3,(H,10,13)/t7?,8-/m0/s1
InChIKeyPKDWJPAZIMVYTQ-MQWKRIRWSA-N
MW189.25 g/mol
LogP-0.10
Rot. Bonds5

About N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide

N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide (PubChem CID 44421758) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(2S)-1,3-dihydroxybutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide
PubChem CID44421758
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[(2S)-1,3-dihydroxybutan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H](CO)C(C)O
InChIInChI=1S/C9H19NO3/c1-6(2)4-9(13)10-8(5-11)7(3)12/h6-8,11-12H,4-5H2,1-3H3,(H,10,13)/t7?,8-/m0/s1
InChIKeyPKDWJPAZIMVYTQ-MQWKRIRWSA-N
XLogP-0.10
TPSA69.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity159

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
CID 57328058
N-[2-(1-hydroxy-4-methylpentyl)]acetamide
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Xylariamide
CID 102222778
N-[(2S)-1,3-Dihydroxynonan-2-yl]-3-methylbutanamide
CID 44421751
N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 25759525
2,4-dihydroxy-3,3-dimethyl-N-propylbutanamide
CID 21661885
N-isovalerylthreonine
CID 29902551
N-cyclohexyl-2-hydroxy-3-methylbutanamide
CID 101272726
N-(2-hydroxy-3-methylbutyl)-3,3-dimethylbutanamide
CID 71916902
(2S)-2-amino-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methylbutanamide
CID 59879205
(2S)-N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide
CID 60077454
[+]-2,4-Dihydroxy-3,3-dimethyl-N-isopropylbutyramide
CID 575854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide (CID 44421758) is N-[(2S)-1,3-dihydroxybutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H](CO)C(C)O.
What is the InChIKey of N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide?
The InChIKey is PKDWJPAZIMVYTQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(2)4-9(13)10-8(5-11)7(3)12/h6-8,11-12H,4-5H2,1-3H3,(H,10,13)/t7?,8-/m0/s1.
What are the key properties of N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide?
N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide has a molecular weight of 189.25 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 44421758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).