1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea

C14H25N3O2 — CID 95762000

IUPAC1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C14H25N3O2/c18-14(15-8-13-2-1-7-19-13)16-12-5-6-17(10-12)9-11-3-4-11/h11-13H,1-10H2,(H2,15,16,18)/t12-,13-/m0/s1
InChIKeyXBGBHORHVBWANZ-STQMWFEESA-N
MW267.37 g/mol
LogP0.95
Rot. Bonds5

About 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea

1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95762000) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95762000
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C14H25N3O2/c18-14(15-8-13-2-1-7-19-13)16-12-5-6-17(10-12)9-11-3-4-11/h11-13H,1-10H2,(H2,15,16,18)/t12-,13-/m0/s1
InChIKeyXBGBHORHVBWANZ-STQMWFEESA-N
XLogP0.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]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-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124853235
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163326678
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 50809703
2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide
CID 86992700
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 7215392
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 7215394
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71918621

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 95762000) is 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea is O=C(NC[C@@H]1CCCO1)N[C@H]1CCN(CC2CC2)C1.
What is the InChIKey of 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is XBGBHORHVBWANZ-STQMWFEESA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(15-8-13-2-1-7-19-13)16-12-5-6-17(10-12)9-11-3-4-11/h11-13H,1-10H2,(H2,15,16,18)/t12-,13-/m0/s1.
What are the key properties of 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 267.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95762000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).