trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide

C20H21FN2O2 — CID 124735793

IUPACtrans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-8-6-13(7-9-16)10-15(19(22)24)12-23-20(25)18-11-17(18)14-4-2-1-3-5-14/h1-9,15,17-18H,10-12H2,(H2,22,24)(H,23,25)/t15-,17-,18+/m0/s1
InChIKeyNVMLFZRFUROEMA-RYQLBKOJSA-N
MW340.40 g/mol
LogP2.39
Rot. Bonds7

About trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 124735793) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID124735793
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Nametrans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-8-6-13(7-9-16)10-15(19(22)24)12-23-20(25)18-11-17(18)14-4-2-1-3-5-14/h1-9,15,17-18H,10-12H2,(H2,22,24)(H,23,25)/t15-,17-,18+/m0/s1
InChIKeyNVMLFZRFUROEMA-RYQLBKOJSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide 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-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
cis-(1S,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-ethoxycyclopropane-1-carboxamide
CID 98763479
trans-(1R,2R)-N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-ethoxycyclopropane-1-carboxamide
CID 95590887
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
cis-(1R,2S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 139568768
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
2-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111868264
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120547279
trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
CID 95338461

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide (CID 124735793) is trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide is NC(=O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NVMLFZRFUROEMA-RYQLBKOJSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-8-6-13(7-9-16)10-15(19(22)24)12-23-20(25)18-11-17(18)14-4-2-1-3-5-14/h1-9,15,17-18H,10-12H2,(H2,22,24)(H,23,25)/t15-,17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 124735793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).