3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid

C9H17NO3 — CID 116944579

IUPAC3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid
SMILESCC(C)(C)C(N)C1(C(=O)O)COC1
InChIInChI=1S/C9H17NO3/c1-8(2,3)6(10)9(7(11)12)4-13-5-9/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyZICMSPMWDQWFHF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.46
Rot. Bonds2

About 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid

3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid (PubChem CID 116944579) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid
PubChem CID116944579
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid
SMILESCC(C)(C)C(N)C1(C(=O)O)COC1
InChIInChI=1S/C9H17NO3/c1-8(2,3)6(10)9(7(11)12)4-13-5-9/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyZICMSPMWDQWFHF-UHFFFAOYSA-N
XLogP0.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959331
3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959327
3-[amino-(3-methylphenyl)methyl]oxetane-3-carboxylic acid
CID 116944657
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
3-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116944650
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
3-[amino(naphthalen-1-yl)methyl]oxetane-3-carboxylic acid
CID 116944676
3-[amino-(5-fluoro-2-methoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116944602
3-pentan-3-yloxane-3-carboxylic acid
CID 103743922
(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide
CID 104865232
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
(E)-3-(3-tert-butyloxetan-3-yl)prop-2-enoic acid
CID 116873952

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid (CID 116944579) is 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid is CC(C)(C)C(N)C1(C(=O)O)COC1.
What is the InChIKey of 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid?
The InChIKey is ZICMSPMWDQWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,3)6(10)9(7(11)12)4-13-5-9/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid?
3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid is sourced from PubChem (CID 116944579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).