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

C14H17FN2O3 — CID 60834048

IUPAC2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1ccc(NC(=O)CN(CC(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O3/c1-9-2-3-10(6-12(9)15)16-13(18)7-17(8-14(19)20)11-4-5-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeySUECTBZADXZWHJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.62
Rot. Bonds6

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

2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 60834048) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID60834048
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1ccc(NC(=O)CN(CC(=O)O)C2CC2)cc1F
InChIInChI=1S/C14H17FN2O3/c1-9-2-3-10(6-12(9)15)16-13(18)7-17(8-14(19)20)11-4-5-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeySUECTBZADXZWHJ-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 102848326
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 47533816
2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833237
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913099
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 32514074

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid (CID 60834048) is 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid is Cc1ccc(NC(=O)CN(CC(=O)O)C2CC2)cc1F.
What is the InChIKey of 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is SUECTBZADXZWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-2-3-10(6-12(9)15)16-13(18)7-17(8-14(19)20)11-4-5-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.62, 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-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60834048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).