2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid

C13H14FNO3 — CID 63210029

IUPAC2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)ccc1F
InChIInChI=1S/C13H14FNO3/c1-8-6-9(2-5-11(8)14)13(18)15(7-12(16)17)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,16,17)
InChIKeyCWMDVNFVGAPEDN-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.82
Rot. Bonds4

About 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid

2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid (PubChem CID 63210029) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
PubChem CID63210029
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)ccc1F
InChIInChI=1S/C13H14FNO3/c1-8-6-9(2-5-11(8)14)13(18)15(7-12(16)17)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,16,17)
InChIKeyCWMDVNFVGAPEDN-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
2-[(4-bromo-3-methylbenzoyl)-cyclopropylamino]acetic acid
CID 113396633
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
CID 113396470
N-cyclopropyl-4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213318
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid (CID 63210029) is 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CC2)ccc1F.
What is the InChIKey of 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid?
The InChIKey is CWMDVNFVGAPEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8-6-9(2-5-11(8)14)13(18)15(7-12(16)17)10-3-4-10/h2,5-6,10H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid?
2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid has a molecular weight of 251.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 63210029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).