(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C15H26N2O3 — CID 61165514

IUPAC(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C([C@@H]1CCCN1)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H26N2O3/c18-15(14-6-1-7-16-14)17(10-12-4-2-8-19-12)11-13-5-3-9-20-13/h12-14,16H,1-11H2/t12?,13?,14-/m0/s1
InChIKeyZIEQAWBAYZJECL-RUXDESIVSA-N
MW282.38 g/mol
LogP0.93
Rot. Bonds5

About (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61165514) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61165514
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C([C@@H]1CCCN1)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H26N2O3/c18-15(14-6-1-7-16-14)17(10-12-4-2-8-19-12)11-13-5-3-9-20-13/h12-14,16H,1-11H2/t12?,13?,14-/m0/s1
InChIKeyZIEQAWBAYZJECL-RUXDESIVSA-N
XLogP0.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60963860
(2R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 103808733
(4R)-2-oxo-N,N-bis[[(2S)-oxolan-2-yl]methyl]imidazolidine-4-carboxamide
CID 98798751
(2S)-N,N-bis(cyclopropylmethyl)piperidine-2-carboxamide
CID 103811837
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908699
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
CID 61164015
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 61165514) is (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C([C@@H]1CCCN1)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZIEQAWBAYZJECL-RUXDESIVSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-15(14-6-1-7-16-14)17(10-12-4-2-8-19-12)11-13-5-3-9-20-13/h12-14,16H,1-11H2/t12?,13?,14-/m0/s1.
What are the key properties of (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61165514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).