2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid

C13H16F2N2O4 — CID 61194078

IUPAC2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)O
InChIInChI=1S/C13H16F2N2O4/c1-2-3-10(11(18)19)17-13(20)16-8-4-6-9(7-5-8)21-12(14)15/h4-7,10,12H,2-3H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFZFJZEYZJLLSAF-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.66
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid

2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid (PubChem CID 61194078) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
PubChem CID61194078
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)O
InChIInChI=1S/C13H16F2N2O4/c1-2-3-10(11(18)19)17-13(20)16-8-4-6-9(7-5-8)21-12(14)15/h4-7,10,12H,2-3H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFZFJZEYZJLLSAF-UHFFFAOYSA-N
XLogP2.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
CID 62328876
(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
CID 107566268
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
2-[[4-(cyanomethyl)phenyl]carbamoylamino]pentanoic acid
CID 62301370
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
1-[4-(difluoromethoxy)phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452793
2-[(4-methoxyphenyl)carbamoylamino]-4-sulfanylbutanoic acid
CID 114212634
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
(2S)-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566862
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid (CID 61194078) is 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid is CCCC(NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is FZFJZEYZJLLSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c1-2-3-10(11(18)19)17-13(20)16-8-4-6-9(7-5-8)21-12(14)15/h4-7,10,12H,2-3H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid?
2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 302.28 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 61194078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).