3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid

C14H17FN2O3 — CID 61191910

IUPAC3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
SMILESCc1ccc(NC(=O)N(CCC(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O3/c1-9-2-3-10(8-12(9)15)16-14(20)17(11-4-5-11)7-6-13(18)19/h2-3,8,11H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyLXCBJYAZCZWJEX-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.61
Rot. Bonds5

About 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 61191910) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
PubChem CID61191910
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
SMILESCc1ccc(NC(=O)N(CCC(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O3/c1-9-2-3-10(8-12(9)15)16-14(20)17(11-4-5-11)7-6-13(18)19/h2-3,8,11H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyLXCBJYAZCZWJEX-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
CID 61199769
3-[cyclopropyl-[(3,4,5-trifluorophenyl)carbamoyl]amino]propanoic acid
CID 62813928
1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080120
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834048
3-[(3-chloro-4-methoxyphenyl)carbamoyl-cyclopropylamino]propanoic acid
CID 61182925
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
3-[1,3-benzothiazol-6-ylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 107806091
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107796191
2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid (CID 61191910) is 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid is Cc1ccc(NC(=O)N(CCC(=O)O)C2CC2)cc1F.
What is the InChIKey of 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is LXCBJYAZCZWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-2-3-10(8-12(9)15)16-14(20)17(11-4-5-11)7-6-13(18)19/h2-3,8,11H,4-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61191910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).