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

C11H23NO2 — CID 97227824

IUPAC(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NC[C@H](O)[C@@H](C)CC
InChIInChI=1S/C11H23NO2/c1-5-8(3)10(13)7-12-11(14)9(4)6-2/h8-10,13H,5-7H2,1-4H3,(H,12,14)/t8-,9-,10-/m0/s1
InChIKeyOOPJJQQPXBYRSF-GUBZILKMSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds6

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

(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide (PubChem CID 97227824) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
PubChem CID97227824
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NC[C@H](O)[C@@H](C)CC
InChIInChI=1S/C11H23NO2/c1-5-8(3)10(13)7-12-11(14)9(4)6-2/h8-10,13H,5-7H2,1-4H3,(H,12,14)/t8-,9-,10-/m0/s1
InChIKeyOOPJJQQPXBYRSF-GUBZILKMSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
ethane;N-ethyl-2-methylbutanamide
CID 145471862
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide (CID 97227824) is (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide is CC[C@H](C)C(=O)NC[C@H](O)[C@@H](C)CC.
What is the InChIKey of (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide?
The InChIKey is OOPJJQQPXBYRSF-GUBZILKMSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8(3)10(13)7-12-11(14)9(4)6-2/h8-10,13H,5-7H2,1-4H3,(H,12,14)/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide?
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide is sourced from PubChem (CID 97227824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).