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

C14H12BrNO4 — CID 115353635

IUPAC2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H12BrNO4/c15-11-4-3-8-5-10(2-1-9(8)6-11)13(18)16-12(7-17)14(19)20/h1-6,12,17H,7H2,(H,16,18)(H,19,20)
InChIKeyJCEJZRSOIBYWKS-UHFFFAOYSA-N
MW338.16 g/mol
LogP1.78
Rot. Bonds4

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

2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 115353635) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID115353635
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H12BrNO4/c15-11-4-3-8-5-10(2-1-9(8)6-11)13(18)16-12(7-17)14(19)20/h1-6,12,17H,7H2,(H,16,18)(H,19,20)
InChIKeyJCEJZRSOIBYWKS-UHFFFAOYSA-N
XLogP1.78
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
(2R)-2-[(5-bromo-2-iodobenzoyl)amino]-3-hydroxypropanoic acid
CID 80747894
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 24690745
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid (CID 115353635) is 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is JCEJZRSOIBYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c15-11-4-3-8-5-10(2-1-9(8)6-11)13(18)16-12(7-17)14(19)20/h1-6,12,17H,7H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 338.16 g/mol, XLogP of 1.78, 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-hydroxypropanoic acid is sourced from PubChem (CID 115353635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).