2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid

C14H19ClN2O4 — CID 81084041

IUPAC2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)Nc1cc(Cl)ccc1C)C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-9-5-6-10(15)8-12(9)17-14(20)16-11(13(18)19)4-3-7-21-2/h5-6,8,11H,3-4,7H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyJOHWJVSXEJZVKP-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.65
Rot. Bonds7

About 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid

2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid (PubChem CID 81084041) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
PubChem CID81084041
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)Nc1cc(Cl)ccc1C)C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-9-5-6-10(15)8-12(9)17-14(20)16-11(13(18)19)4-3-7-21-2/h5-6,8,11H,3-4,7H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyJOHWJVSXEJZVKP-UHFFFAOYSA-N
XLogP2.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
2-[(2,3-dimethylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81086394
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
2-[(4-bromo-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084242
2-[(2-chloro-5-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 107529838
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3810031
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
CID 61184596
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3773328

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid (CID 81084041) is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid is COCCCC(NC(=O)Nc1cc(Cl)ccc1C)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid?
The InChIKey is JOHWJVSXEJZVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-9-5-6-10(15)8-12(9)17-14(20)16-11(13(18)19)4-3-7-21-2/h5-6,8,11H,3-4,7H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid?
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid has a molecular weight of 314.77 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid is sourced from PubChem (CID 81084041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).