2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid

C16H17NO3 — CID 79792523

IUPAC2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
SMILESCCC(C)(NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H17NO3/c1-3-16(2,15(19)20)17-14(18)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGGDYAVKKTSAULT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid

2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid (PubChem CID 79792523) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
PubChem CID79792523
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
SMILESCCC(C)(NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H17NO3/c1-3-16(2,15(19)20)17-14(18)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGGDYAVKKTSAULT-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938
2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 58370198
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid
CID 23132883
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid (CID 79792523) is 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid is CCC(C)(NC(=O)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid?
The InChIKey is GGDYAVKKTSAULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-16(2,15(19)20)17-14(18)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid?
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid is sourced from PubChem (CID 79792523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).