2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid

C15H14BrNO4 — CID 115353629

IUPAC2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H14BrNO4/c1-8(18)13(15(20)21)17-14(19)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-8,13,18H,1H3,(H,17,19)(H,20,21)
InChIKeyVQHWITMHYASMJB-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.17
Rot. Bonds4

About 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid

2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 115353629) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID115353629
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H14BrNO4/c1-8(18)13(15(20)21)17-14(19)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-8,13,18H,1H3,(H,17,19)(H,20,21)
InChIKeyVQHWITMHYASMJB-UHFFFAOYSA-N
XLogP2.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid (CID 115353629) is 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)O.
What is the InChIKey of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is VQHWITMHYASMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-8(18)13(15(20)21)17-14(19)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-8,13,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 352.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 115353629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).