3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid

C16H17NO3 — CID 64672120

IUPAC3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c1-16(2,10-14(18)19)17-15(20)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMCHKOJPHXYWIHL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.82
Rot. Bonds4

About 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid

3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid (PubChem CID 64672120) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
PubChem CID64672120
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO3/c1-16(2,10-14(18)19)17-15(20)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMCHKOJPHXYWIHL-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

4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
3-[[4-(hydroxymethyl)benzoyl]amino]-3-methylbutanoic acid
CID 64670755
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
ethane;naphthalene-2-carbohydrazide
CID 91601372
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid
CID 64670702
3-[(4-fluoro-3-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 81283508
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid (CID 64672120) is 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid is CC(C)(CC(=O)O)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid?
The InChIKey is MCHKOJPHXYWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(2,10-14(18)19)17-15(20)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid?
3-methyl-3-(naphthalene-2-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 3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 64672120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).