1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea

C18H26N4O2 — CID 119409296

IUPAC1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
SMILESN[C@@H]1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)C1
InChIInChI=1S/C18H26N4O2/c19-15-8-11-22(13-15)16(23)18(9-4-5-10-18)21-17(24)20-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,19H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyUDGAINHQCGBXBY-OAHLLOKOSA-N
MW330.43 g/mol
LogP1.36
Rot. Bonds4

About 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea

1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea (PubChem CID 119409296) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea.

Molecular Properties

Compound Name1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
PubChem CID119409296
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
SMILESN[C@@H]1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)C1
InChIInChI=1S/C18H26N4O2/c19-15-8-11-22(13-15)16(23)18(9-4-5-10-18)21-17(24)20-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,19H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyUDGAINHQCGBXBY-OAHLLOKOSA-N
XLogP1.36
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119239094
N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
CID 166176498
N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
CID 166176501
1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea
CID 55983063
tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
CID 55971633
1-[1-(4-aminopiperidine-1-carbonyl)cyclopentyl]-3-ethylurea;hydrochloride
CID 119373610
1-benzyl-3-[1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentyl]urea
CID 112812349
[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119411352
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
CID 166176503
1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 46537305

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea?
The IUPAC name of 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea (CID 119409296) is 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea.
What is the SMILES notation for 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea?
The canonical SMILES for 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea is N[C@@H]1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)C1.
What is the InChIKey of 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea?
The InChIKey is UDGAINHQCGBXBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-15-8-11-22(13-15)16(23)18(9-4-5-10-18)21-17(24)20-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,19H2,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea?
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea has a molecular weight of 330.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea is sourced from PubChem (CID 119409296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).