(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid

C12H13BrClNO3 — CID 99851723

IUPAC(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(Cl)ccc1Br)C(=O)O
InChIInChI=1S/C12H13BrClNO3/c1-2-3-10(12(17)18)15-11(16)8-6-7(14)4-5-9(8)13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyMQNBPCZERORRSH-SNVBAGLBSA-N
MW334.60 g/mol
LogP3.09
Rot. Bonds5

About (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid

(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid (PubChem CID 99851723) has the molecular formula C12H13BrClNO3 and a molecular weight of 334.60 g/mol. Its IUPAC name is (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
PubChem CID99851723
Molecular FormulaC12H13BrClNO3
Molecular Weight334.60 g/mol
Exact Mass332.98
IUPAC Name(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(Cl)ccc1Br)C(=O)O
InChIInChI=1S/C12H13BrClNO3/c1-2-3-10(12(17)18)15-11(16)8-6-7(14)4-5-9(8)13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyMQNBPCZERORRSH-SNVBAGLBSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
(2S)-2-[(2-bromo-5-nitrobenzoyl)amino]pentanoic acid
CID 107564729
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
CID 43630288
2-[(5-chloro-2-nitrobenzoyl)amino]hexanoic acid
CID 43386973
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
2-[(5-chloro-2-fluorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43102072
2-[(2-bromo-5-methylbenzoyl)amino]pentanedioic acid
CID 81110365
6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid (CID 99851723) is (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cc(Cl)ccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid?
The InChIKey is MQNBPCZERORRSH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13BrClNO3/c1-2-3-10(12(17)18)15-11(16)8-6-7(14)4-5-9(8)13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid?
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid has a molecular weight of 334.60 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid is sourced from PubChem (CID 99851723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).