2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid

C15H17FN2O4 — CID 120519342

IUPAC2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNC(=O)c1cccc(F)c1)C1CC1
InChIInChI=1S/C15H17FN2O4/c1-9(15(21)22)18(12-5-6-12)13(19)8-17-14(20)10-3-2-4-11(16)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H,17,20)(H,21,22)
InChIKeyPPLCSVGRMLPBLU-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.02
Rot. Bonds6

About 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid

2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid (PubChem CID 120519342) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
PubChem CID120519342
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNC(=O)c1cccc(F)c1)C1CC1
InChIInChI=1S/C15H17FN2O4/c1-9(15(21)22)18(12-5-6-12)13(19)8-17-14(20)10-3-2-4-11(16)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H,17,20)(H,21,22)
InChIKeyPPLCSVGRMLPBLU-UHFFFAOYSA-N
XLogP1.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78835530
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
N-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 71876568
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662774
2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid (CID 120519342) is 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CNC(=O)c1cccc(F)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid?
The InChIKey is PPLCSVGRMLPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-9(15(21)22)18(12-5-6-12)13(19)8-17-14(20)10-3-2-4-11(16)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 120519342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).