6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide

C11H22N2O3 — CID 163435862

IUPAC6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
SMILESCC(=O)[C@@H](NC(=O)CCCCCN)[C@@H](C)O
InChIInChI=1S/C11H22N2O3/c1-8(14)11(9(2)15)13-10(16)6-4-3-5-7-12/h8,11,14H,3-7,12H2,1-2H3,(H,13,16)/t8-,11+/m1/s1
InChIKeyAULCOZBTEXUZNS-KCJUWKMLSA-N
MW230.31 g/mol
LogP-0.04
Rot. Bonds8

About 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide

6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide (PubChem CID 163435862) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
PubChem CID163435862
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
SMILESCC(=O)[C@@H](NC(=O)CCCCCN)[C@@H](C)O
InChIInChI=1S/C11H22N2O3/c1-8(14)11(9(2)15)13-10(16)6-4-3-5-7-12/h8,11,14H,3-7,12H2,1-2H3,(H,13,16)/t8-,11+/m1/s1
InChIKeyAULCOZBTEXUZNS-KCJUWKMLSA-N
XLogP-0.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
CID 155415665
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide?
The IUPAC name of 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide (CID 163435862) is 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide?
The canonical SMILES for 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide is CC(=O)[C@@H](NC(=O)CCCCCN)[C@@H](C)O.
What is the InChIKey of 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide?
The InChIKey is AULCOZBTEXUZNS-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(14)11(9(2)15)13-10(16)6-4-3-5-7-12/h8,11,14H,3-7,12H2,1-2H3,(H,13,16)/t8-,11+/m1/s1.
What are the key properties of 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide?
6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide has a molecular weight of 230.31 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide is sourced from PubChem (CID 163435862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).