2-naphthalen-2-yl-2-(pentanoylamino)acetic acid

C17H19NO3 — CID 120543531

IUPAC2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
SMILESCCCCC(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-2-3-8-15(19)18-16(17(20)21)14-10-9-12-6-4-5-7-13(12)11-14/h4-7,9-11,16H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyYXLAIWLUZYSXCC-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.27
Rot. Bonds6

About 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid

2-naphthalen-2-yl-2-(pentanoylamino)acetic acid (PubChem CID 120543531) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
PubChem CID120543531
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
SMILESCCCCC(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-2-3-8-15(19)18-16(17(20)21)14-10-9-12-6-4-5-7-13(12)11-14/h4-7,9-11,16H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyYXLAIWLUZYSXCC-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
CID 120543546
2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543590
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
4-[hydroxy(naphthalen-2-yl)methyl]non-4-en-3-one
CID 71427782
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid?
The IUPAC name of 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid (CID 120543531) is 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid is CCCCC(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid?
The InChIKey is YXLAIWLUZYSXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-3-8-15(19)18-16(17(20)21)14-10-9-12-6-4-5-7-13(12)11-14/h4-7,9-11,16H,2-3,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid?
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-(pentanoylamino)acetic acid is sourced from PubChem (CID 120543531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).