2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone

C13H23N3O3 — CID 70340184

IUPAC2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCC(=O)N1CCC[C@@H]1CO)N1CCCC1
InChIInChI=1S/C13H23N3O3/c17-10-11-4-3-7-16(11)13(19)9-14-8-12(18)15-5-1-2-6-15/h11,14,17H,1-10H2/t11-/m1/s1
InChIKeyUYDZXIWSHQNERR-LLVKDONJSA-N
MW269.34 g/mol
LogP-0.82
Rot. Bonds5

About 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone

2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 70340184) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID70340184
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCC(=O)N1CCC[C@@H]1CO)N1CCCC1
InChIInChI=1S/C13H23N3O3/c17-10-11-4-3-7-16(11)13(19)9-14-8-12(18)15-5-1-2-6-15/h11,14,17H,1-10H2/t11-/m1/s1
InChIKeyUYDZXIWSHQNERR-LLVKDONJSA-N
XLogP-0.82
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634633
2-(butan-2-ylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107218138
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286776
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411188
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropanenitrile
CID 61409516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone (CID 70340184) is 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone is O=C(CNCC(=O)N1CCC[C@@H]1CO)N1CCCC1.
What is the InChIKey of 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is UYDZXIWSHQNERR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-10-11-4-3-7-16(11)13(19)9-14-8-12(18)15-5-1-2-6-15/h11,14,17H,1-10H2/t11-/m1/s1.
What are the key properties of 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 269.34 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 70340184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).