2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid

C10H19NO3 — CID 106487285

IUPAC2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
SMILESCC(CN)(CCC1CCCO1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(7-11,9(12)13)5-4-8-3-2-6-14-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyWIMBLOGRIFMHKJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.00
Rot. Bonds5

About 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid

2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid (PubChem CID 106487285) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
PubChem CID106487285
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
SMILESCC(CN)(CCC1CCCO1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(7-11,9(12)13)5-4-8-3-2-6-14-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyWIMBLOGRIFMHKJ-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
2-ethoxycarbonyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 103973806
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
2-methyl-2-[3-(oxolan-2-yl)propylsulfinyl]propanoic acid
CID 81227541
2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol
CID 106506616
3,3-dimethylbutyl 3-(oxolan-2-yl)propanoate
CID 78863605
2,2-dimethyl-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 65302675
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
CID 79790302
2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid?
The IUPAC name of 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid (CID 106487285) is 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid is CC(CN)(CCC1CCCO1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid?
The InChIKey is WIMBLOGRIFMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(7-11,9(12)13)5-4-8-3-2-6-14-8/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid?
2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid is sourced from PubChem (CID 106487285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).