1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea

C11H22N2O2 — CID 115362818

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C11H22N2O2/c1-9(2)13-10(15)12-7-11(8-14)5-3-4-6-11/h9,14H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyFWEVKMTZTJJPQF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds4

About 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea (PubChem CID 115362818) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
PubChem CID115362818
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C11H22N2O2/c1-9(2)13-10(15)12-7-11(8-14)5-3-4-6-11/h9,14H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyFWEVKMTZTJJPQF-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
CID 115267413
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
CID 111618340
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea (CID 115362818) is 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1(CO)CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
The InChIKey is FWEVKMTZTJJPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13-10(15)12-7-11(8-14)5-3-4-6-11/h9,14H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 115362818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).