3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid

C14H16FNO4 — CID 65434561

IUPAC3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cccc(F)c1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)13(11)14(19)16(9-5-6-9)8-7-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyBGVRCWYJUQWGFQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.91
Rot. Bonds6

About 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid

3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid (PubChem CID 65434561) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
PubChem CID65434561
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cccc(F)c1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)13(11)14(19)16(9-5-6-9)8-7-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChIKeyBGVRCWYJUQWGFQ-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
CID 61199769
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
CID 79513281
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid (CID 65434561) is 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid is COc1cccc(F)c1C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?
The InChIKey is BGVRCWYJUQWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)13(11)14(19)16(9-5-6-9)8-7-12(17)18/h2-4,9H,5-8H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid has a molecular weight of 281.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 65434561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).