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

C16H20N2O2 — CID 61180080

IUPAC(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C16H20N2O2/c1-3-10(2)15(17)16(20)18-13-8-4-7-12-11(13)6-5-9-14(12)19/h4-10,15,19H,3,17H2,1-2H3,(H,18,20)/t10-,15-/m0/s1
InChIKeyXOCIQLWNFAWZBM-BONVTDFDSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds4

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

(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide (PubChem CID 61180080) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
PubChem CID61180080
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C16H20N2O2/c1-3-10(2)15(17)16(20)18-13-8-4-7-12-11(13)6-5-9-14(12)19/h4-10,15,19H,3,17H2,1-2H3,(H,18,20)/t10-,15-/m0/s1
InChIKeyXOCIQLWNFAWZBM-BONVTDFDSA-N
XLogP2.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 62726815
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide (CID 61180080) is (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide?
The InChIKey is XOCIQLWNFAWZBM-BONVTDFDSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10(2)15(17)16(20)18-13-8-4-7-12-11(13)6-5-9-14(12)19/h4-10,15,19H,3,17H2,1-2H3,(H,18,20)/t10-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.86, 4 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-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide is sourced from PubChem (CID 61180080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).