(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride

C11H25ClN2O — CID 119342416

IUPAC(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
SMILESCCCCC(CCC)NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-6-8-10(7-5-2)13-11(14)9(3)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H/t9-,10?;/m0./s1
InChIKeyUECMEOCRCMUFES-KKFCBZOWSA-N
MW236.79 g/mol
LogP2.23
Rot. Bonds7

About (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride

(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride (PubChem CID 119342416) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
PubChem CID119342416
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
SMILESCCCCC(CCC)NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-6-8-10(7-5-2)13-11(14)9(3)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H/t9-,10?;/m0./s1
InChIKeyUECMEOCRCMUFES-KKFCBZOWSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
2-amino-N-octan-4-ylbutanediamide
CID 113288677
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
CID 106021394
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
3,3-dimethyl-2-(octan-4-ylcarbamoyl)butanoic acid
CID 106021463
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride (CID 119342416) is (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride is CCCCC(CCC)NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride?
The InChIKey is UECMEOCRCMUFES-KKFCBZOWSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-4-6-8-10(7-5-2)13-11(14)9(3)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H/t9-,10?;/m0./s1.
What are the key properties of (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride?
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119342416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).