1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea

C12H22N2O3 — CID 111438268

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCC1(O)CCC1)C1CCCO1
InChIInChI=1S/C12H22N2O3/c1-9(10-4-2-7-17-10)14-11(15)13-8-12(16)5-3-6-12/h9-10,16H,2-8H2,1H3,(H2,13,14,15)
InChIKeyVPNMEBAUHASQHF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.77
Rot. Bonds4

About 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 111438268) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID111438268
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCC1(O)CCC1)C1CCCO1
InChIInChI=1S/C12H22N2O3/c1-9(10-4-2-7-17-10)14-11(15)13-8-12(16)5-3-6-12/h9-10,16H,2-8H2,1H3,(H2,13,14,15)
InChIKeyVPNMEBAUHASQHF-UHFFFAOYSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
CID 95313447
1-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 94030106
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 94030105
1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 7126735
4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525677
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086235

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 111438268) is 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NCC1(O)CCC1)C1CCCO1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is VPNMEBAUHASQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10-4-2-7-17-10)14-11(15)13-8-12(16)5-3-6-12/h9-10,16H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 242.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 111438268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).