7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide

C12H26N2O2 — CID 79250170

IUPAC7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCCCCCN
InChIInChI=1S/C12H26N2O2/c1-10(2)11(9-15)14-12(16)7-5-3-4-6-8-13/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyJWVBWGLKUFGDKX-LLVKDONJSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds9

About 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide

7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide (PubChem CID 79250170) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
PubChem CID79250170
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCCCCCN
InChIInChI=1S/C12H26N2O2/c1-10(2)11(9-15)14-12(16)7-5-3-4-6-8-13/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyJWVBWGLKUFGDKX-LLVKDONJSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
CID 79250281
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314276
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
CID 101100546

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
The IUPAC name of 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide (CID 79250170) is 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
The canonical SMILES for 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide is CC(C)[C@@H](CO)NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
The InChIKey is JWVBWGLKUFGDKX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)11(9-15)14-12(16)7-5-3-4-6-8-13/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide is sourced from PubChem (CID 79250170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).