(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide

C12H24N2O2 — CID 95167848

IUPAC(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide
SMILESCC[C@@H](C)N(C)CCNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H24N2O2/c1-4-10(2)14(3)8-7-13-12(15)11-6-5-9-16-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11+/m1/s1
InChIKeyWXMKMTAOMOUXOG-MNOVXSKESA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide

(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide (PubChem CID 95167848) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide
PubChem CID95167848
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide
SMILESCC[C@@H](C)N(C)CCNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H24N2O2/c1-4-10(2)14(3)8-7-13-12(15)11-6-5-9-16-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11+/m1/s1
InChIKeyWXMKMTAOMOUXOG-MNOVXSKESA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799727
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771
N'-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119131930
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
CID 106158020
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide (CID 95167848) is (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide is CC[C@@H](C)N(C)CCNC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide?
The InChIKey is WXMKMTAOMOUXOG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(2)14(3)8-7-13-12(15)11-6-5-9-16-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide?
(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 95167848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).