4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid

C14H16FNO3 — CID 110481809

IUPAC4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C14H16FNO3/c15-11-4-2-1-3-10(11)14(7-8-14)9-16-12(17)5-6-13(18)19/h1-4H,5-9H2,(H,16,17)(H,18,19)
InChIKeyLIWUIVQGXMBZDN-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.84
Rot. Bonds6

About 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid

4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid (PubChem CID 110481809) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
PubChem CID110481809
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C14H16FNO3/c15-11-4-2-1-3-10(11)14(7-8-14)9-16-12(17)5-6-13(18)19/h1-4H,5-9H2,(H,16,17)(H,18,19)
InChIKeyLIWUIVQGXMBZDN-UHFFFAOYSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
CID 122556371
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 97057314
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
CID 86792113
(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
CID 110481161
1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea
CID 111435263

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid (CID 110481809) is 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCC1(c2ccccc2F)CC1.
What is the InChIKey of 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
The InChIKey is LIWUIVQGXMBZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-11-4-2-1-3-10(11)14(7-8-14)9-16-12(17)5-6-13(18)19/h1-4H,5-9H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid has a molecular weight of 265.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 110481809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).