N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide

C19H32FN3O2 — CID 11515888

IUPACN-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide
SMILESC[C@@H](C1CCC(N(C)C(=O)C2CC2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C19H32FN3O2/c1-12(17(21)19(25)23-10-9-15(20)11-23)13-5-7-16(8-6-13)22(2)18(24)14-3-4-14/h12-17H,3-11,21H2,1-2H3/t12-,13?,15-,16?,17-/m0/s1
InChIKeyJARWZTRYNLRZAE-KPPTXXMDSA-N
MW353.48 g/mol
LogP1.95
Rot. Bonds5

About N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide

N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide (PubChem CID 11515888) has the molecular formula C19H32FN3O2 and a molecular weight of 353.48 g/mol. Its IUPAC name is N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide
PubChem CID11515888
Molecular FormulaC19H32FN3O2
Molecular Weight353.48 g/mol
Exact Mass353.25
IUPAC NameN-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide
SMILESC[C@@H](C1CCC(N(C)C(=O)C2CC2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C19H32FN3O2/c1-12(17(21)19(25)23-10-9-15(20)11-23)13-5-7-16(8-6-13)22(2)18(24)14-3-4-14/h12-17H,3-11,21H2,1-2H3/t12-,13?,15-,16?,17-/m0/s1
InChIKeyJARWZTRYNLRZAE-KPPTXXMDSA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide (CID 11515888) is N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide is C[C@@H](C1CCC(N(C)C(=O)C2CC2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.
What is the InChIKey of N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide?
The InChIKey is JARWZTRYNLRZAE-KPPTXXMDSA-N. The full InChI is InChI=1S/C19H32FN3O2/c1-12(17(21)19(25)23-10-9-15(20)11-23)13-5-7-16(8-6-13)22(2)18(24)14-3-4-14/h12-17H,3-11,21H2,1-2H3/t12-,13?,15-,16?,17-/m0/s1.
What are the key properties of N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide?
N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide has a molecular weight of 353.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 11515888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).