2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid

C16H16BrNO3 — CID 174546235

IUPAC2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1Br)C(=O)O
InChIInChI=1S/C16H16BrNO3/c1-3-16(2,15(20)21)18-14(19)12-9-8-10-6-4-5-7-11(10)13(12)17/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZXQOOAMCBZCMKM-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.59
Rot. Bonds4

About 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid

2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 174546235) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID174546235
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1Br)C(=O)O
InChIInChI=1S/C16H16BrNO3/c1-3-16(2,15(20)21)18-14(19)12-9-8-10-6-4-5-7-11(10)13(12)17/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZXQOOAMCBZCMKM-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
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
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150097816
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957

Frequently Asked Questions

What is the IUPAC name of 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid (CID 174546235) is 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc2ccccc2c1Br)C(=O)O.
What is the InChIKey of 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is ZXQOOAMCBZCMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-3-16(2,15(20)21)18-14(19)12-9-8-10-6-4-5-7-11(10)13(12)17/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 350.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 174546235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).