(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide

C11H24N2O2 — CID 103950762

IUPAC(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-5-8(4)10(12)11(15)13-6-9(14)7(2)3/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/t8-,9?,10-/m0/s1
InChIKeyFXEDPIFNRGXFOQ-SMILAEQMSA-N
MW216.32 g/mol
LogP0.49
Rot. Bonds6

About (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide (PubChem CID 103950762) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
PubChem CID103950762
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(O)C(C)C
InChIInChI=1S/C11H24N2O2/c1-5-8(4)10(12)11(15)13-6-9(14)7(2)3/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/t8-,9?,10-/m0/s1
InChIKeyFXEDPIFNRGXFOQ-SMILAEQMSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide (CID 103950762) is (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCC(O)C(C)C.
What is the InChIKey of (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide?
The InChIKey is FXEDPIFNRGXFOQ-SMILAEQMSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-8(4)10(12)11(15)13-6-9(14)7(2)3/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/t8-,9?,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide is sourced from PubChem (CID 103950762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).