1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea

C14H19N3O3 — CID 66260760

IUPAC1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCC[C@H]1CO)Nc1ccccc1
InChIInChI=1S/C14H19N3O3/c18-10-12-7-4-8-17(12)13(19)9-15-14(20)16-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2,(H2,15,16,20)/t12-/m0/s1
InChIKeyGUZVMESCIIQENU-LBPRGKRZSA-N
MW277.32 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea

1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea (PubChem CID 66260760) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
PubChem CID66260760
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCC[C@H]1CO)Nc1ccccc1
InChIInChI=1S/C14H19N3O3/c18-10-12-7-4-8-17(12)13(19)9-15-14(20)16-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2,(H2,15,16,20)/t12-/m0/s1
InChIKeyGUZVMESCIIQENU-LBPRGKRZSA-N
XLogP0.79
TPSA81.67 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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411188
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 43421664
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea?
The IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea (CID 66260760) is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea is O=C(NCC(=O)N1CCC[C@H]1CO)Nc1ccccc1.
What is the InChIKey of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea?
The InChIKey is GUZVMESCIIQENU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-10-12-7-4-8-17(12)13(19)9-15-14(20)16-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2,(H2,15,16,20)/t12-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea?
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea has a molecular weight of 277.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea is sourced from PubChem (CID 66260760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).