3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide

C11H22N2O2 — CID 95136369

IUPAC3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide
SMILESCC(C)N(CCC(N)=O)C[C@@H]1CCOC1
InChIInChI=1S/C11H22N2O2/c1-9(2)13(5-3-11(12)14)7-10-4-6-15-8-10/h9-10H,3-8H2,1-2H3,(H2,12,14)/t10-/m0/s1
InChIKeyQWZXQDZVVCIIFA-JTQLQIEISA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds6

About 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide

3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide (PubChem CID 95136369) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide.

Molecular Properties

Compound Name3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide
PubChem CID95136369
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide
SMILESCC(C)N(CCC(N)=O)C[C@@H]1CCOC1
InChIInChI=1S/C11H22N2O2/c1-9(2)13(5-3-11(12)14)7-10-4-6-15-8-10/h9-10H,3-8H2,1-2H3,(H2,12,14)/t10-/m0/s1
InChIKeyQWZXQDZVVCIIFA-JTQLQIEISA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317
N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163259274
N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163258033
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86989385
N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79716147

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide?
The IUPAC name of 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide (CID 95136369) is 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide.
What is the SMILES notation for 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide?
The canonical SMILES for 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide is CC(C)N(CCC(N)=O)C[C@@H]1CCOC1.
What is the InChIKey of 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide?
The InChIKey is QWZXQDZVVCIIFA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13(5-3-11(12)14)7-10-4-6-15-8-10/h9-10H,3-8H2,1-2H3,(H2,12,14)/t10-/m0/s1.
What are the key properties of 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide?
3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-oxolan-3-yl]methyl-propan-2-ylamino]propanamide is sourced from PubChem (CID 95136369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).