(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide

C9H20N2O2 — CID 93083392

IUPAC(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H20N2O2/c1-4-6(2)8(10)9(13)11-5-7(3)12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t6-,7+,8-/m0/s1
InChIKeyUCGRQDMCYKUQMO-RNJXMRFFSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds5

About (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide (PubChem CID 93083392) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
PubChem CID93083392
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H20N2O2/c1-4-6(2)8(10)9(13)11-5-7(3)12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t6-,7+,8-/m0/s1
InChIKeyUCGRQDMCYKUQMO-RNJXMRFFSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(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
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
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide (CID 93083392) is (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)O.
What is the InChIKey of (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide?
The InChIKey is UCGRQDMCYKUQMO-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-6(2)8(10)9(13)11-5-7(3)12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t6-,7+,8-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide has a molecular weight of 188.27 g/mol, XLogP of -0.14, 5 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-[(2R)-2-hydroxypropyl]-3-methylpentanamide is sourced from PubChem (CID 93083392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).