1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea

C19H27N3O — CID 97081608

IUPAC1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
SMILESO=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H27N3O/c23-19(20-11-14-8-9-22(13-14)17-6-7-17)21-12-16-10-18(16)15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H2,20,21,23)/t14-,16+,18-/m0/s1
InChIKeyQCEATJSNYZPMFP-LESCRADOSA-N
MW313.44 g/mol
LogP2.57
Rot. Bonds6

About 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea

1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea (PubChem CID 97081608) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
PubChem CID97081608
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
SMILESO=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H27N3O/c23-19(20-11-14-8-9-22(13-14)17-6-7-17)21-12-16-10-18(16)15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H2,20,21,23)/t14-,16+,18-/m0/s1
InChIKeyQCEATJSNYZPMFP-LESCRADOSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea with MolForge

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Related Compounds

1-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[[(1S,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081613
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95203939
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea
CID 112834731
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 71930081
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea?
The IUPAC name of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea (CID 97081608) is 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea.
What is the SMILES notation for 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea?
The canonical SMILES for 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea is O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea?
The InChIKey is QCEATJSNYZPMFP-LESCRADOSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(20-11-14-8-9-22(13-14)17-6-7-17)21-12-16-10-18(16)15-4-2-1-3-5-15/h1-5,14,16-18H,6-13H2,(H2,20,21,23)/t14-,16+,18-/m0/s1.
What are the key properties of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea?
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea has a molecular weight of 313.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea is sourced from PubChem (CID 97081608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).