3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid

C18H31N3O4 — CID 67803073

IUPAC3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)Cc1cc(N)on1.O=C(O)[C@@H]1CCCN1CC1CCOC1
InChIInChI=1S/C10H17NO3.C8H14N2O/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8;1-8(2,3)5-6-4-7(9)11-10-6/h8-9H,1-7H2,(H,12,13);4H,5,9H2,1-3H3/t8?,9-;/m0./s1
InChIKeyYGSJSVWXXFQLKY-MTFPJWTKSA-N
MW353.46 g/mol
LogP2.42
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid

3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 67803073) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID67803073
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)Cc1cc(N)on1.O=C(O)[C@@H]1CCCN1CC1CCOC1
InChIInChI=1S/C10H17NO3.C8H14N2O/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8;1-8(2,3)5-6-4-7(9)11-10-6/h8-9H,1-7H2,(H,12,13);4H,5,9H2,1-3H3/t8?,9-;/m0./s1
InChIKeyYGSJSVWXXFQLKY-MTFPJWTKSA-N
XLogP2.42
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid (CID 67803073) is 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid is CC(C)(C)Cc1cc(N)on1.O=C(O)[C@@H]1CCCN1CC1CCOC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YGSJSVWXXFQLKY-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H17NO3.C8H14N2O/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8;1-8(2,3)5-6-4-7(9)11-10-6/h8-9H,1-7H2,(H,12,13);4H,5,9H2,1-3H3/t8?,9-;/m0./s1.
What are the key properties of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid?
3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 353.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67803073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).