1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea

C12H24N2O4 — CID 163004834

IUPAC1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
SMILESCOCC1(CNC(=O)NC(C)C)CC(O)C(O)C1
InChIInChI=1S/C12H24N2O4/c1-8(2)14-11(17)13-6-12(7-18-3)4-9(15)10(16)5-12/h8-10,15-16H,4-7H2,1-3H3,(H2,13,14,17)
InChIKeyBXTDWLPNWKBILV-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.16
Rot. Bonds5

About 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea

1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea (PubChem CID 163004834) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
PubChem CID163004834
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
SMILESCOCC1(CNC(=O)NC(C)C)CC(O)C(O)C1
InChIInChI=1S/C12H24N2O4/c1-8(2)14-11(17)13-6-12(7-18-3)4-9(15)10(16)5-12/h8-10,15-16H,4-7H2,1-3H3,(H2,13,14,17)
InChIKeyBXTDWLPNWKBILV-UHFFFAOYSA-N
XLogP-0.16
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea 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

N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162921091
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368084
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
CID 115267413
N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 162796190
1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 124852088
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838

Frequently Asked Questions

What is the IUPAC name of 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea (CID 163004834) is 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea is COCC1(CNC(=O)NC(C)C)CC(O)C(O)C1.
What is the InChIKey of 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
The InChIKey is BXTDWLPNWKBILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(2)14-11(17)13-6-12(7-18-3)4-9(15)10(16)5-12/h8-10,15-16H,4-7H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea?
1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea has a molecular weight of 260.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 163004834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).