3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid

C10H17NO3 — CID 117027700

IUPAC3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCO2)C1
InChIInChI=1S/C10H17NO3/c12-10(13)7-4-8(5-7)11-6-9-2-1-3-14-9/h7-9,11H,1-6H2,(H,12,13)
InChIKeyGQVSLLGTAHQCRO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds4

About 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid

3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid (PubChem CID 117027700) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
PubChem CID117027700
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCO2)C1
InChIInChI=1S/C10H17NO3/c12-10(13)7-4-8(5-7)11-6-9-2-1-3-14-9/h7-9,11H,1-6H2,(H,12,13)
InChIKeyGQVSLLGTAHQCRO-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 79032608
(1S,2R,3R,4S)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716251
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid
CID 103234748
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid (CID 117027700) is 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CC(NCC2CCCO2)C1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is GQVSLLGTAHQCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)7-4-8(5-7)11-6-9-2-1-3-14-9/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid?
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117027700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).