(2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide

C15H27N3O2 — CID 99632998

IUPAC(2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide
SMILESC[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)N(C)CCC#N
InChIInChI=1S/C15H27N3O2/c1-11(13(19)18(6)9-7-8-16)17-12-10-14(2,3)20-15(12,4)5/h11-12,17H,7,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyZMMMQSWIWSVSFZ-NWDGAFQWSA-N
MW281.40 g/mol
LogP1.68
Rot. Bonds5

About (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide

(2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide (PubChem CID 99632998) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide
PubChem CID99632998
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide
SMILESC[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)N(C)CCC#N
InChIInChI=1S/C15H27N3O2/c1-11(13(19)18(6)9-7-8-16)17-12-10-14(2,3)20-15(12,4)5/h11-12,17H,7,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyZMMMQSWIWSVSFZ-NWDGAFQWSA-N
XLogP1.68
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide with MolForge

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 86800249
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 79916589
1-N,1-N-dimethyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
CID 79928044
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
2-(4-chloroanilino)-N-(2-cyanoethyl)-N-methylpropanamide
CID 86910162
N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
CID 110880195
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942936
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 99632804
(2S)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]amino]propanoic acid
CID 83194395
(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95611982
(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95611983

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide?
The IUPAC name of (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide (CID 99632998) is (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide is C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)N(C)CCC#N.
What is the InChIKey of (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide?
The InChIKey is ZMMMQSWIWSVSFZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(13(19)18(6)9-7-8-16)17-12-10-14(2,3)20-15(12,4)5/h11-12,17H,7,9-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide?
(2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanoethyl)-N-methyl-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]propanamide is sourced from PubChem (CID 99632998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).