4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide

C10H20N2O2 — CID 81075819

IUPAC4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(CN)CC(=O)NCC1CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(5-11)4-10(13)12-6-9-2-3-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyWLTXDEQXJZOSBK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds5

About 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide

4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 81075819) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID81075819
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(CN)CC(=O)NCC1CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(5-11)4-10(13)12-6-9-2-3-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyWLTXDEQXJZOSBK-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(oxolan-3-ylmethyl)butanamide
CID 103154885
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide (CID 81075819) is 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide is CC(CN)CC(=O)NCC1CCOC1.
What is the InChIKey of 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is WLTXDEQXJZOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(5-11)4-10(13)12-6-9-2-3-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 81075819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).