1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea

C14H26N2O3 — CID 97242721

IUPAC1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)NCC[C@@H]1CCCO1
InChIInChI=1S/C14H26N2O3/c1-16(10-11-4-2-6-13(11)17)14(18)15-8-7-12-5-3-9-19-12/h11-13,17H,2-10H2,1H3,(H,15,18)/t11-,12-,13+/m0/s1
InChIKeyYBIULBNYIPVWQQ-RWMBFGLXSA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds5

About 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 97242721) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID97242721
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)NCC[C@@H]1CCCO1
InChIInChI=1S/C14H26N2O3/c1-16(10-11-4-2-6-13(11)17)14(18)15-8-7-12-5-3-9-19-12/h11-13,17H,2-10H2,1H3,(H,15,18)/t11-,12-,13+/m0/s1
InChIKeyYBIULBNYIPVWQQ-RWMBFGLXSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea
CID 128968430
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 110025016
1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 129332704
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398829
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
CID 109398834
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 109397494

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea (CID 97242721) is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea is CN(C[C@@H]1CCC[C@H]1O)C(=O)NCC[C@@H]1CCCO1.
What is the InChIKey of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is YBIULBNYIPVWQQ-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(10-11-4-2-6-13(11)17)14(18)15-8-7-12-5-3-9-19-12/h11-13,17H,2-10H2,1H3,(H,15,18)/t11-,12-,13+/m0/s1.
What are the key properties of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea?
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 97242721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).