3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid

C15H19FN2O3 — CID 60838363

IUPAC3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NCc1ccccc1F)C1CC1
InChIInChI=1S/C15H19FN2O3/c16-13-4-2-1-3-11(13)9-17-14(19)10-18(12-5-6-12)8-7-15(20)21/h1-4,12H,5-10H2,(H,17,19)(H,20,21)
InChIKeyUXOSEQYNMCVYHQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.38
Rot. Bonds8

About 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid

3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 60838363) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID60838363
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)NCc1ccccc1F)C1CC1
InChIInChI=1S/C15H19FN2O3/c16-13-4-2-1-3-11(13)9-17-14(19)10-18(12-5-6-12)8-7-15(20)21/h1-4,12H,5-10H2,(H,17,19)(H,20,21)
InChIKeyUXOSEQYNMCVYHQ-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60838351
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
2-[[(3S)-1,1-dioxothiolan-3-yl]-prop-2-enylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 95132352
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide
CID 139523427
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid (CID 60838363) is 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid is O=C(O)CCN(CC(=O)NCc1ccccc1F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is UXOSEQYNMCVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-4-2-1-3-11(13)9-17-14(19)10-18(12-5-6-12)8-7-15(20)21/h1-4,12H,5-10H2,(H,17,19)(H,20,21).
What are the key properties of 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60838363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).