2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide

C11H22N2O2 — CID 115868590

IUPAC2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
SMILESCC(C)C(N)C(=O)NC(C)C1CCOC1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(14)13-8(3)9-4-5-15-6-9/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyVDIOCSUPVYHCRE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.51
Rot. Bonds4

About 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide

2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide (PubChem CID 115868590) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
PubChem CID115868590
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
SMILESCC(C)C(N)C(=O)NC(C)C1CCOC1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(14)13-8(3)9-4-5-15-6-9/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyVDIOCSUPVYHCRE-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 104876980
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
2-amino-2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115753126
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide (CID 115868590) is 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide is CC(C)C(N)C(=O)NC(C)C1CCOC1.
What is the InChIKey of 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide?
The InChIKey is VDIOCSUPVYHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)10(12)11(14)13-8(3)9-4-5-15-6-9/h7-10H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide?
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide is sourced from PubChem (CID 115868590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).