1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea

C8H16N2O2 — CID 14282882

IUPAC1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea
SMILESCNC(=O)NC1CCC(CO)C1
InChIInChI=1S/C8H16N2O2/c1-9-8(12)10-7-3-2-6(4-7)5-11/h6-7,11H,2-5H2,1H3,(H2,9,10,12)
InChIKeyFHGVLFSBLLGAJE-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.08
Rot. Bonds2

About 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea

1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea (PubChem CID 14282882) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea
PubChem CID14282882
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea
SMILESCNC(=O)NC1CCC(CO)C1
InChIInChI=1S/C8H16N2O2/c1-9-8(12)10-7-3-2-6(4-7)5-11/h6-7,11H,2-5H2,1H3,(H2,9,10,12)
InChIKeyFHGVLFSBLLGAJE-UHFFFAOYSA-N
XLogP0.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(Hydroxymethyl)cyclohexyl]-1-methyl-3-pentylurea
CID 75362789
3-Butyl-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75362790
1-[2-(2-Hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea
CID 119039464
1-(4-Cyclopropylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea
CID 121517371
1-[2-Fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
CID 126536230
N-[3-(Hydroxymethyl)cyclopentyl]acetamide
CID 84038671
1-(1-Cyclopentyl-2-hydroxyethyl)-3-ethylurea
CID 140042852
[(5R)-6-hydroxy-5-methylhexan-2-yl]urea
CID 153040836
methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate
CID 163869499
(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 164555811
1-Ethyl-3-[2-(3-hydroxycyclopentyl)ethyl]urea
CID 175926184
[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]urea
CID 12319912

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea?
The IUPAC name of 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea (CID 14282882) is 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea.
What is the SMILES notation for 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea?
The canonical SMILES for 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea is CNC(=O)NC1CCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea?
The InChIKey is FHGVLFSBLLGAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(12)10-7-3-2-6(4-7)5-11/h6-7,11H,2-5H2,1H3,(H2,9,10,12).
What are the key properties of 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea?
1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea has a molecular weight of 172.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)cyclopentyl]-3-methylurea is sourced from PubChem (CID 14282882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).