1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid

C10H18N2O3 — CID 130987300

IUPAC1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)N1CC(C)(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-9(2,3)11-8(15)12-5-10(4,6-12)7(13)14/h5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyPNDDYTMOOWTVGA-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds1

About 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid

1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid (PubChem CID 130987300) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid
PubChem CID130987300
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)N1CC(C)(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-9(2,3)11-8(15)12-5-10(4,6-12)7(13)14/h5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyPNDDYTMOOWTVGA-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide
CID 115695171
N-tert-butyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872033
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124592
1-[[4-(tert-butylcarbamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075361
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
1-(3,3-difluorobutan-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122080139
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
1-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079908
N-tert-butyl-3-propan-2-ylimidazolidine-1-carboxamide
CID 146427463
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
N-tert-butyl-4-formylpiperazine-1-carboxamide
CID 4995630

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid?
The IUPAC name of 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid (CID 130987300) is 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid?
The canonical SMILES for 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid is CC(C)(C)NC(=O)N1CC(C)(C(=O)O)C1.
What is the InChIKey of 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid?
The InChIKey is PNDDYTMOOWTVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(2,3)11-8(15)12-5-10(4,6-12)7(13)14/h5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid?
1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 130987300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).