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

C14H17FN2O4 — CID 61199769

IUPAC3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
SMILESCOc1ccc(NC(=O)N(CCC(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-5-2-9(8-11(12)15)16-14(20)17(10-3-4-10)7-6-13(18)19/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyKGFURSQEKNETMJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.31
Rot. Bonds6

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

3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid (PubChem CID 61199769) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
PubChem CID61199769
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
SMILESCOc1ccc(NC(=O)N(CCC(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-5-2-9(8-11(12)15)16-14(20)17(10-3-4-10)7-6-13(18)19/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyKGFURSQEKNETMJ-UHFFFAOYSA-N
XLogP2.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-methoxyphenyl)carbamoyl-cyclopropylamino]propanoic acid
CID 61182925
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910
3-[cyclopropyl-[(3,4,5-trifluorophenyl)carbamoyl]amino]propanoic acid
CID 62813928
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
2-[(3-fluoro-4-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276907
3-(3-fluoro-4-methoxyphenyl)-1-methyl-1-[(2R)-pentan-2-yl]urea
CID 94187469
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid (CID 61199769) is 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid is COc1ccc(NC(=O)N(CCC(=O)O)C2CC2)cc1F.
What is the InChIKey of 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is KGFURSQEKNETMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-12-5-2-9(8-11(12)15)16-14(20)17(10-3-4-10)7-6-13(18)19/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 296.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61199769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).