(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid

C15H14BrNO3 — CID 115353671

IUPAC(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H14BrNO3/c1-2-13(15(19)20)17-14(18)11-4-3-10-8-12(16)6-5-9(10)7-11/h3-8,13H,2H2,1H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyHZUWWGGHDGSAQB-CYBMUJFWSA-N
MW336.19 g/mol
LogP3.20
Rot. Bonds4

About (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid

(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid (PubChem CID 115353671) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
PubChem CID115353671
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)O
InChIInChI=1S/C15H14BrNO3/c1-2-13(15(19)20)17-14(18)11-4-3-10-8-12(16)6-5-9(10)7-11/h3-8,13H,2H2,1H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyHZUWWGGHDGSAQB-CYBMUJFWSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
2-(isoquinoline-6-carbonylamino)butanoic acid
CID 110485108
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
(2R)-2-[(3,4-dihydroxybenzoyl)amino]butanoic acid
CID 107728136
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
(2S)-2-[(3,4-difluorobenzoyl)amino]butanoic acid
CID 42255214
(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
CID 103804471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid (CID 115353671) is (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid is CC[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid?
The InChIKey is HZUWWGGHDGSAQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-2-13(15(19)20)17-14(18)11-4-3-10-8-12(16)6-5-9(10)7-11/h3-8,13H,2H2,1H3,(H,17,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid?
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid has a molecular weight of 336.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 115353671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).