3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid

C9H16N2O3 — CID 132594065

IUPAC3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CNC1
InChIInChI=1S/C9H16N2O3/c12-8(13)9(5-10-6-9)11-4-7-2-1-3-14-7/h7,10-11H,1-6H2,(H,12,13)
InChIKeyNRMJBXMCLNSVIU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.82
Rot. Bonds4

About 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid

3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid (PubChem CID 132594065) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
PubChem CID132594065
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CNC1
InChIInChI=1S/C9H16N2O3/c12-8(13)9(5-10-6-9)11-4-7-2-1-3-14-7/h7,10-11H,1-6H2,(H,12,13)
InChIKeyNRMJBXMCLNSVIU-UHFFFAOYSA-N
XLogP-0.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
CID 55141024
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167545
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
ethyl 1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 54890281
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64756379
methyl 1-(oxolan-2-ylmethylamino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 62708451
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid?
The IUPAC name of 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid (CID 132594065) is 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid is O=C(O)C1(NCC2CCCO2)CNC1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid?
The InChIKey is NRMJBXMCLNSVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(13)9(5-10-6-9)11-4-7-2-1-3-14-7/h7,10-11H,1-6H2,(H,12,13).
What are the key properties of 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid?
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid is sourced from PubChem (CID 132594065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).