[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea

C14H21N3O2 — CID 144628967

IUPAC[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCN1CC(c2ccccc2)[C@H](NC(N)=O)C1
InChIInChI=1S/C14H21N3O2/c1-19-8-7-17-9-12(11-5-3-2-4-6-11)13(10-17)16-14(15)18/h2-6,12-13H,7-10H2,1H3,(H3,15,16,18)/t12?,13-/m1/s1
InChIKeyNJFWXUYEXMSAFK-ZGTCLIOFSA-N
MW263.34 g/mol
LogP0.77
Rot. Bonds5

About [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea

[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (PubChem CID 144628967) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
PubChem CID144628967
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCN1CC(c2ccccc2)[C@H](NC(N)=O)C1
InChIInChI=1S/C14H21N3O2/c1-19-8-7-17-9-12(11-5-3-2-4-6-11)13(10-17)16-14(15)18/h2-6,12-13H,7-10H2,1H3,(H3,15,16,18)/t12?,13-/m1/s1
InChIKeyNJFWXUYEXMSAFK-ZGTCLIOFSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
[(3R,4S)-4-(5-fluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 142747373
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
N-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
CID 126731076
[(3S,4R)-1-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamic acid
CID 118128720
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 71471487
1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 118128560
1-[(3R,4S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
CID 118128880
1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 71041379
1-[(3R,4S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)urea
CID 118128926
1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)urea
CID 71471061
1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(8-methoxy-2-methylquinolin-3-yl)urea
CID 122424649

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The IUPAC name of [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (CID 144628967) is [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is COCCN1CC(c2ccccc2)[C@H](NC(N)=O)C1.
What is the InChIKey of [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The InChIKey is NJFWXUYEXMSAFK-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-8-7-17-9-12(11-5-3-2-4-6-11)13(10-17)16-14(15)18/h2-6,12-13H,7-10H2,1H3,(H3,15,16,18)/t12?,13-/m1/s1.
What are the key properties of [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea has a molecular weight of 263.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 144628967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).