(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide

C15H18N2O2 — CID 61180078

IUPAC(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C15H18N2O2/c1-9(2)14(16)15(19)17-12-7-3-6-11-10(12)5-4-8-13(11)18/h3-9,14,18H,16H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyDAJOYPCFEWEXCC-AWEZNQCLSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds3

About (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide

(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide (PubChem CID 61180078) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
PubChem CID61180078
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C15H18N2O2/c1-9(2)14(16)15(19)17-12-7-3-6-11-10(12)5-4-8-13(11)18/h3-9,14,18H,16H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyDAJOYPCFEWEXCC-AWEZNQCLSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
CID 46179715
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
CID 135192580
2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide (CID 61180078) is (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide?
The InChIKey is DAJOYPCFEWEXCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)14(16)15(19)17-12-7-3-6-11-10(12)5-4-8-13(11)18/h3-9,14,18H,16H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide?
(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide is sourced from PubChem (CID 61180078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).