N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

C16H24N4O3 — CID 124866485

IUPACN-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESC[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)NCc1ccco1
InChIInChI=1S/C16H24N4O3/c1-11-9-20(12-4-5-12)10-14(11)19-15(21)8-18-16(22)17-7-13-3-2-6-23-13/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,19,21)(H2,17,18,22)/t11-,14-/m1/s1
InChIKeyXCCCOZLMWLDUFA-BXUZGUMPSA-N
MW320.39 g/mol
LogP0.68
Rot. Bonds6

About N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (PubChem CID 124866485) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
PubChem CID124866485
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESC[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)NCc1ccco1
InChIInChI=1S/C16H24N4O3/c1-11-9-20(12-4-5-12)10-14(11)19-15(21)8-18-16(22)17-7-13-3-2-6-23-13/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,19,21)(H2,17,18,22)/t11-,14-/m1/s1
InChIKeyXCCCOZLMWLDUFA-BXUZGUMPSA-N
XLogP0.68
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide 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

cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111918531
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2123025

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (CID 124866485) is N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)NCc1ccco1.
What is the InChIKey of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The InChIKey is XCCCOZLMWLDUFA-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-9-20(12-4-5-12)10-14(11)19-15(21)8-18-16(22)17-7-13-3-2-6-23-13/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,19,21)(H2,17,18,22)/t11-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 124866485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).