2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid

C13H16Cl2N2O3 — CID 65315785

IUPAC2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-2-3-11(12(18)19)17-13(20)16-7-8-6-9(14)4-5-10(8)15/h4-6,11H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKNNMTKNNSXEQBM-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.05
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid

2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid (PubChem CID 65315785) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
PubChem CID65315785
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-2-3-11(12(18)19)17-13(20)16-7-8-6-9(14)4-5-10(8)15/h4-6,11H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKNNMTKNNSXEQBM-UHFFFAOYSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methylcarbamoylamino]pentanoic acid
CID 114848472
2-[(2,5-dichlorophenyl)methylamino]pentanoic acid
CID 65316981
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
2-[(2,5-dimethylphenyl)methylcarbamoylamino]pentanoic acid
CID 60707388
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
(2S)-2-[(2,5-dichlorophenyl)methylcarbamoylamino]-3-methylbutanamide
CID 122563064
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 18071951
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid (CID 65315785) is 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid is CCCC(NC(=O)NCc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is KNNMTKNNSXEQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-2-3-11(12(18)19)17-13(20)16-7-8-6-9(14)4-5-10(8)15/h4-6,11H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid?
2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 319.19 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 65315785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).