[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea

C14H19N3O3 — CID 61408635

IUPAC[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESNC(=O)NC(C(=O)N1CCCC1CO)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-14(20)16-12(10-5-2-1-3-6-10)13(19)17-8-4-7-11(17)9-18/h1-3,5-6,11-12,18H,4,7-9H2,(H3,15,16,20)
InChIKeyGSMAVGCBWNXVAE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.38
Rot. Bonds4

About [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea

[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 61408635) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
PubChem CID61408635
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESNC(=O)NC(C(=O)N1CCCC1CO)c1ccccc1
InChIInChI=1S/C14H19N3O3/c15-14(20)16-12(10-5-2-1-3-6-10)13(19)17-8-4-7-11(17)9-18/h1-3,5-6,11-12,18H,4,7-9H2,(H3,15,16,20)
InChIKeyGSMAVGCBWNXVAE-UHFFFAOYSA-N
XLogP0.38
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 62099075
N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 96564974
[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 107224574
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 134270184

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea (CID 61408635) is [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea is NC(=O)NC(C(=O)N1CCCC1CO)c1ccccc1.
What is the InChIKey of [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is GSMAVGCBWNXVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(20)16-12(10-5-2-1-3-6-10)13(19)17-8-4-7-11(17)9-18/h1-3,5-6,11-12,18H,4,7-9H2,(H3,15,16,20).
What are the key properties of [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea?
[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 277.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 61408635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).