N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C19H25FN2O3 — CID 124845421

IUPACN-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O3/c1-11(23)17(22-18(24)13-5-6-13)19(25)21-16-4-2-3-15(16)12-7-9-14(20)10-8-12/h7-11,13,15-17,23H,2-6H2,1H3,(H,21,25)(H,22,24)/t11-,15+,16-,17-/m0/s1
InChIKeyLYZODWWCSYLDHL-FKSAFCJBSA-N
MW348.42 g/mol
LogP1.85
Rot. Bonds6

About N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 124845421) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID124845421
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O3/c1-11(23)17(22-18(24)13-5-6-13)19(25)21-16-4-2-3-15(16)12-7-9-14(20)10-8-12/h7-11,13,15-17,23H,2-6H2,1H3,(H,21,25)(H,22,24)/t11-,15+,16-,17-/m0/s1
InChIKeyLYZODWWCSYLDHL-FKSAFCJBSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014490
(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide
CID 124856355
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
CID 100652811
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
(3R)-4-acetyl-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]morpholine-3-carboxamide
CID 97250374
N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013792
N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015471
N-[1-[(3-chloro-4-fluorophenyl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014441
1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
CID 111507674
N-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015453
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 124845421) is N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is LYZODWWCSYLDHL-FKSAFCJBSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-11(23)17(22-18(24)13-5-6-13)19(25)21-16-4-2-3-15(16)12-7-9-14(20)10-8-12/h7-11,13,15-17,23H,2-6H2,1H3,(H,21,25)(H,22,24)/t11-,15+,16-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 124845421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).