[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

C20H25FN2O4 — CID 95351768

IUPAC[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)N1C[C@@H](C(=O)OCC(=O)N(Cc2ccccc2F)C2CC2)CC1=O
InChIInChI=1S/C20H25FN2O4/c1-13(2)22-11-15(9-18(22)24)20(26)27-12-19(25)23(16-7-8-16)10-14-5-3-4-6-17(14)21/h3-6,13,15-16H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyDZBHDSJJQPKJSA-HNNXBMFYSA-N
MW376.43 g/mol
LogP2.12
Rot. Bonds7

About [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 95351768) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID95351768
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)N1C[C@@H](C(=O)OCC(=O)N(Cc2ccccc2F)C2CC2)CC1=O
InChIInChI=1S/C20H25FN2O4/c1-13(2)22-11-15(9-18(22)24)20(26)27-12-19(25)23(16-7-8-16)10-14-5-3-4-6-17(14)21/h3-6,13,15-16H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyDZBHDSJJQPKJSA-HNNXBMFYSA-N
XLogP2.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640605
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927485
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8559808
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103051
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 47009853
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (CID 95351768) is [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is CC(C)N1C[C@@H](C(=O)OCC(=O)N(Cc2ccccc2F)C2CC2)CC1=O.
What is the InChIKey of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is DZBHDSJJQPKJSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-13(2)22-11-15(9-18(22)24)20(26)27-12-19(25)23(16-7-8-16)10-14-5-3-4-6-17(14)21/h3-6,13,15-16H,7-12H2,1-2H3/t15-/m0/s1.
What are the key properties of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 95351768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).