2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid

C14H18ClNO3 — CID 65218537

IUPAC2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H18ClNO3/c1-2-3-11(14(18)19)9-16-13(17)8-10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyPRHGBQNHLKYWCW-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.50
Rot. Bonds7

About 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid

2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid (PubChem CID 65218537) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
PubChem CID65218537
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H18ClNO3/c1-2-3-11(14(18)19)9-16-13(17)8-10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyPRHGBQNHLKYWCW-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
CID 65219085
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220451
2-[[3-(4-ethylphenyl)propanoylamino]methyl]pentanoic acid
CID 65219639
(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 166903417
2-[[[2-(3-acetamidophenyl)acetyl]amino]methyl]pentanoic acid
CID 126814810
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
2-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]pentanoic acid
CID 65223654
2-[[[2-(2-chlorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 65223556
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219353
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 65218826
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 114036847

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid (CID 65218537) is 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is PRHGBQNHLKYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-3-11(14(18)19)9-16-13(17)8-10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid?
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65218537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).