N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

C13H25N3O3 — CID 67191225

IUPACN-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1CC[C@@H](O)C1)NCC1CCCN1CCO
InChIInChI=1S/C13H25N3O3/c17-7-6-16-4-1-2-11(16)8-14-13(19)10-15-5-3-12(18)9-15/h11-12,17-18H,1-10H2,(H,14,19)/t11?,12-/m1/s1
InChIKeyPEFWJPXWBGEANP-PIJUOVFKSA-N
MW271.36 g/mol
LogP-1.37
Rot. Bonds6

About N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 67191225) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID67191225
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1CC[C@@H](O)C1)NCC1CCCN1CCO
InChIInChI=1S/C13H25N3O3/c17-7-6-16-4-1-2-11(16)8-14-13(19)10-15-5-3-12(18)9-15/h11-12,17-18H,1-10H2,(H,14,19)/t11?,12-/m1/s1
InChIKeyPEFWJPXWBGEANP-PIJUOVFKSA-N
XLogP-1.37
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (CID 67191225) is N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is O=C(CN1CC[C@@H](O)C1)NCC1CCCN1CCO.
What is the InChIKey of N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is PEFWJPXWBGEANP-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H25N3O3/c17-7-6-16-4-1-2-11(16)8-14-13(19)10-15-5-3-12(18)9-15/h11-12,17-18H,1-10H2,(H,14,19)/t11?,12-/m1/s1.
What are the key properties of N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 271.36 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 67191225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).