1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea

C15H26N2O3 — CID 166299921

IUPAC1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea
SMILESCC(C)[C@@]12CC[C@H](NC(=O)NC3C[C@@H](O)[C@@H](O)C3)[C@@H]1C2
InChIInChI=1S/C15H26N2O3/c1-8(2)15-4-3-11(10(15)7-15)17-14(20)16-9-5-12(18)13(19)6-9/h8-13,18-19H,3-7H2,1-2H3,(H2,16,17,20)/t9?,10-,11-,12-,13+,15-/m0/s1
InChIKeyWBSJOXCHWQGFDW-SDGNHWKQSA-N
MW282.38 g/mol
LogP0.99
Rot. Bonds3

About 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea

1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea (PubChem CID 166299921) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea.

Molecular Properties

Compound Name1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea
PubChem CID166299921
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea
SMILESCC(C)[C@@]12CC[C@H](NC(=O)NC3C[C@@H](O)[C@@H](O)C3)[C@@H]1C2
InChIInChI=1S/C15H26N2O3/c1-8(2)15-4-3-11(10(15)7-15)17-14(20)16-9-5-12(18)13(19)6-9/h8-13,18-19H,3-7H2,1-2H3,(H2,16,17,20)/t9?,10-,11-,12-,13+,15-/m0/s1
InChIKeyWBSJOXCHWQGFDW-SDGNHWKQSA-N
XLogP0.99
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea 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

(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol
CID 166304176
2-methyl-4-(5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)but-2-enal
CID 177163973
N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
CID 166820569
N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
CID 86962853
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 143295904
1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
CID 110933307
1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
CID 109394253

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea?
The IUPAC name of 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea (CID 166299921) is 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea.
What is the SMILES notation for 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea?
The canonical SMILES for 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea is CC(C)[C@@]12CC[C@H](NC(=O)NC3C[C@@H](O)[C@@H](O)C3)[C@@H]1C2.
What is the InChIKey of 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea?
The InChIKey is WBSJOXCHWQGFDW-SDGNHWKQSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-8(2)15-4-3-11(10(15)7-15)17-14(20)16-9-5-12(18)13(19)6-9/h8-13,18-19H,3-7H2,1-2H3,(H2,16,17,20)/t9?,10-,11-,12-,13+,15-/m0/s1.
What are the key properties of 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea?
1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea has a molecular weight of 282.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3,4-dihydroxycyclopentyl]-3-[(1R,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]urea is sourced from PubChem (CID 166299921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).