1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea

C17H32N2O3 — CID 99830495

IUPAC1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@@H]1CCCO1
InChIInChI=1S/C17H32N2O3/c1-5-13(14-7-6-9-21-14)19-16(20)18-11-12-8-10-22-15(12)17(2,3)4/h12-15H,5-11H2,1-4H3,(H2,18,19,20)/t12-,13+,14+,15+/m1/s1
InChIKeyOIQAJELUXZJOJV-QPSCCSFWSA-N
MW312.45 g/mol
LogP2.69
Rot. Bonds5

About 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea

1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea (PubChem CID 99830495) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
PubChem CID99830495
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@@H]1CCCO1
InChIInChI=1S/C17H32N2O3/c1-5-13(14-7-6-9-21-14)19-16(20)18-11-12-8-10-22-15(12)17(2,3)4/h12-15H,5-11H2,1-4H3,(H2,18,19,20)/t12-,13+,14+,15+/m1/s1
InChIKeyOIQAJELUXZJOJV-QPSCCSFWSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]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-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
CID 109491442
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97244266
1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111428448
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129492497
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
4,4-dimethyl-2-(methylamino)-N-[1-(oxolan-2-yl)propyl]pentanamide
CID 167850623
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide
CID 124595857

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The IUPAC name of 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea (CID 99830495) is 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea is CC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[C@@H]1CCCO1.
What is the InChIKey of 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The InChIKey is OIQAJELUXZJOJV-QPSCCSFWSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-13(14-7-6-9-21-14)19-16(20)18-11-12-8-10-22-15(12)17(2,3)4/h12-15H,5-11H2,1-4H3,(H2,18,19,20)/t12-,13+,14+,15+/m1/s1.
What are the key properties of 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea has a molecular weight of 312.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 99830495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).