2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid

C14H16FNO4 — CID 81283788

IUPAC2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1F
InChIInChI=1S/C14H16FNO4/c1-14(13(18)19,9-4-5-9)16-12(17)8-3-6-10(15)11(7-8)20-2/h3,6-7,9H,4-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHDUJDNJWYAHPEG-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid

2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid (PubChem CID 81283788) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
PubChem CID81283788
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1F
InChIInChI=1S/C14H16FNO4/c1-14(13(18)19,9-4-5-9)16-12(17)8-3-6-10(15)11(7-8)20-2/h3,6-7,9H,4-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHDUJDNJWYAHPEG-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
3-[(4-fluoro-3-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 81283508
(2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 97337384
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81284104
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid (CID 81283788) is 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid is COc1cc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1F.
What is the InChIKey of 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
The InChIKey is HDUJDNJWYAHPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-14(13(18)19,9-4-5-9)16-12(17)8-3-6-10(15)11(7-8)20-2/h3,6-7,9H,4-5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid?
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid has a molecular weight of 281.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 81283788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).