1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea

C12H23N3O — CID 165447997

IUPAC1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
SMILESN[C@@H]1CC[C@H](CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C12H23N3O/c13-10-6-5-9(7-10)8-14-12(16)15-11-3-1-2-4-11/h9-11H,1-8,13H2,(H2,14,15,16)/t9-,10+/m0/s1
InChIKeyIOYSSCORLODPOI-VHSXEESVSA-N
MW225.34 g/mol
LogP1.36
Rot. Bonds3

About 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea

1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea (PubChem CID 165447997) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
PubChem CID165447997
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
SMILESN[C@@H]1CC[C@H](CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C12H23N3O/c13-10-6-5-9(7-10)8-14-12(16)15-11-3-1-2-4-11/h9-11H,1-8,13H2,(H2,14,15,16)/t9-,10+/m0/s1
InChIKeyIOYSSCORLODPOI-VHSXEESVSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 106121317
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
CID 146109282
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
1-cyclohexyl-3-[(2-methylcyclopropyl)methyl]urea
CID 115582567
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea?
The IUPAC name of 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea (CID 165447997) is 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea?
The canonical SMILES for 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea is N[C@@H]1CC[C@H](CNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea?
The InChIKey is IOYSSCORLODPOI-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23N3O/c13-10-6-5-9(7-10)8-14-12(16)15-11-3-1-2-4-11/h9-11H,1-8,13H2,(H2,14,15,16)/t9-,10+/m0/s1.
What are the key properties of 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea?
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea has a molecular weight of 225.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea is sourced from PubChem (CID 165447997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).