2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid

C14H20N2O3 — CID 61199945

IUPAC2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1cc(C)ccc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-5-11(13(17)18)15-14(19)16-12-8-9(2)6-7-10(12)3/h6-8,11H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWPTPDRVXFXLMCX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.68
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid

2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid (PubChem CID 61199945) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
PubChem CID61199945
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1cc(C)ccc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-5-11(13(17)18)15-14(19)16-12-8-9(2)6-7-10(12)3/h6-8,11H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWPTPDRVXFXLMCX-UHFFFAOYSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107565893
(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107566981
2-[(2,5-dimethylphenyl)methylcarbamoylamino]pentanoic acid
CID 60707388
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
(2S)-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107567837
(2S)-2-[(2-fluoro-3-methylphenyl)carbamoylamino]pentanoic acid
CID 114254327
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684
(2R)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]pentanoic acid
CID 107593172
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
(2R)-2-[(3-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107566984
(2S)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005442

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid (CID 61199945) is 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid is CCCC(NC(=O)Nc1cc(C)ccc1C)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is WPTPDRVXFXLMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-11(13(17)18)15-14(19)16-12-8-9(2)6-7-10(12)3/h6-8,11H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid?
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 61199945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).