1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea

C17H31N3O2 — CID 97062806

IUPAC1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
SMILESCOCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1
InChIInChI=1S/C17H31N3O2/c1-22-10-8-17(6-2-7-17)13-18-16(21)19-15-5-9-20(12-15)11-14-3-4-14/h14-15H,2-13H2,1H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyYSRNVYBRNZRGJI-OAHLLOKOSA-N
MW309.45 g/mol
LogP1.98
Rot. Bonds8

About 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea

1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea (PubChem CID 97062806) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
PubChem CID97062806
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
SMILESCOCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1
InChIInChI=1S/C17H31N3O2/c1-22-10-8-17(6-2-7-17)13-18-16(21)19-15-5-9-20(12-15)11-14-3-4-14/h14-15H,2-13H2,1H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyYSRNVYBRNZRGJI-OAHLLOKOSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea 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

1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983
2-(cyclopropylmethylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 114112932
N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
CID 95616964
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762000
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea (CID 97062806) is 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea is COCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1.
What is the InChIKey of 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
The InChIKey is YSRNVYBRNZRGJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-22-10-8-17(6-2-7-17)13-18-16(21)19-15-5-9-20(12-15)11-14-3-4-14/h14-15H,2-13H2,1H3,(H2,18,19,21)/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea?
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea has a molecular weight of 309.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 97062806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).