2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid

C10H19NO3 — CID 79624339

IUPAC2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
SMILESCC(C)(CNC1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,9(12)13)7-11-8-3-5-14-6-4-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyLCIXDZBZHCOXPI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.87
Rot. Bonds4

About 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid

2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid (PubChem CID 79624339) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
PubChem CID79624339
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
SMILESCC(C)(CNC1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,9(12)13)7-11-8-3-5-14-6-4-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyLCIXDZBZHCOXPI-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
CID 115664541
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
CID 82821366
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
CID 106189408
2-(oxan-4-ylamino)ethylcarbamic acid
CID 68665690
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607
2,2-dimethyl-3-(oxan-3-ylamino)propanamide
CID 115978805
2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
CID 65248373

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid (CID 79624339) is 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid is CC(C)(CNC1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid?
The InChIKey is LCIXDZBZHCOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,9(12)13)7-11-8-3-5-14-6-4-8/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid?
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid is sourced from PubChem (CID 79624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).