(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid

C13H15Cl2NO3 — CID 107562883

IUPAC(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-3-11(13(18)19)16-12(17)7-8-4-5-9(14)10(15)6-8/h4-6,11H,2-3,7H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyPFWCCKWHROQRAY-LLVKDONJSA-N
MW304.17 g/mol
LogP2.91
Rot. Bonds6

About (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid

(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid (PubChem CID 107562883) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
PubChem CID107562883
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-3-11(13(18)19)16-12(17)7-8-4-5-9(14)10(15)6-8/h4-6,11H,2-3,7H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyPFWCCKWHROQRAY-LLVKDONJSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307074
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126563751
2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
CID 65315785
(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107564593
butyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]butanoate
CID 67636937
1-(3,4-dichlorophenyl)-3-hydroxyhexan-2-one
CID 103453814

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid (CID 107562883) is (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid?
The InChIKey is PFWCCKWHROQRAY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-2-3-11(13(18)19)16-12(17)7-8-4-5-9(14)10(15)6-8/h4-6,11H,2-3,7H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid has a molecular weight of 304.17 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107562883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).