(2S)-N-methyl-2-(oxan-3-ylamino)propanamide

C9H18N2O2 — CID 130727521

IUPAC(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
SMILESCNC(=O)[C@H](C)NC1CCCOC1
InChIInChI=1S/C9H18N2O2/c1-7(9(12)10-2)11-8-4-3-5-13-6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8?/m0/s1
InChIKeyWDZKDBRAJHNCRV-JAMMHHFISA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds3

About (2S)-N-methyl-2-(oxan-3-ylamino)propanamide

(2S)-N-methyl-2-(oxan-3-ylamino)propanamide (PubChem CID 130727521) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-N-methyl-2-(oxan-3-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
PubChem CID130727521
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
SMILESCNC(=O)[C@H](C)NC1CCCOC1
InChIInChI=1S/C9H18N2O2/c1-7(9(12)10-2)11-8-4-3-5-13-6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8?/m0/s1
InChIKeyWDZKDBRAJHNCRV-JAMMHHFISA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-methyl-2-(oxan-3-ylamino)propanamide 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

N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
N-butyl-2-(oxan-3-ylamino)propanamide
CID 63363455
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
N-cyclopropyl-2-(oxolan-3-ylamino)propanamide
CID 80713366
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79895294
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
(3R)-N-methyloxan-3-amine
CID 58327948
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 103923548
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(oxan-3-ylamino)propanamide?
The IUPAC name of (2S)-N-methyl-2-(oxan-3-ylamino)propanamide (CID 130727521) is (2S)-N-methyl-2-(oxan-3-ylamino)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-(oxan-3-ylamino)propanamide?
The canonical SMILES for (2S)-N-methyl-2-(oxan-3-ylamino)propanamide is CNC(=O)[C@H](C)NC1CCCOC1.
What is the InChIKey of (2S)-N-methyl-2-(oxan-3-ylamino)propanamide?
The InChIKey is WDZKDBRAJHNCRV-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(12)10-2)11-8-4-3-5-13-6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8?/m0/s1.
What are the key properties of (2S)-N-methyl-2-(oxan-3-ylamino)propanamide?
(2S)-N-methyl-2-(oxan-3-ylamino)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(oxan-3-ylamino)propanamide is sourced from PubChem (CID 130727521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).