4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C14H20N2O3 — CID 71255191

IUPAC4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CNCc2ccccc2)N1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2)16(13(17)18)12(10-19-14)9-15-8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3,(H,17,18)
InChIKeyUBGLTNCSJGXNCH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds4

About 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 71255191) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID71255191
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CNCc2ccccc2)N1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2)16(13(17)18)12(10-19-14)9-15-8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3,(H,17,18)
InChIKeyUBGLTNCSJGXNCH-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 90450549
benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67191035
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11002753
4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 118387207
4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
tert-butyl (4R)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 10990397
tert-butyl (4S)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 15850664
4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22247795

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 71255191) is 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCC(CNCc2ccccc2)N1C(=O)O.
What is the InChIKey of 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is UBGLTNCSJGXNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)16(13(17)18)12(10-19-14)9-15-8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 71255191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).