1-(propan-2-ylamino)azetidine-3-carboxylic acid

C7H14N2O2 — CID 142773778

IUPAC1-(propan-2-ylamino)azetidine-3-carboxylic acid
SMILESCC(C)NN1CC(C(=O)O)C1
InChIInChI=1S/C7H14N2O2/c1-5(2)8-9-3-6(4-9)7(10)11/h5-6,8H,3-4H2,1-2H3,(H,10,11)
InChIKeyITILZBNCSBBLMZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.08
Rot. Bonds3

About 1-(propan-2-ylamino)azetidine-3-carboxylic acid

1-(propan-2-ylamino)azetidine-3-carboxylic acid (PubChem CID 142773778) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(propan-2-ylamino)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)azetidine-3-carboxylic acid
PubChem CID142773778
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(propan-2-ylamino)azetidine-3-carboxylic acid
SMILESCC(C)NN1CC(C(=O)O)C1
InChIInChI=1S/C7H14N2O2/c1-5(2)8-9-3-6(4-9)7(10)11/h5-6,8H,3-4H2,1-2H3,(H,10,11)
InChIKeyITILZBNCSBBLMZ-UHFFFAOYSA-N
XLogP-0.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propan-2-ylamino)azetidine-3-carboxamide
CID 142973194
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
(3R)-5-(propan-2-ylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 71289873
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65072053
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
CID 65066559

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)azetidine-3-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)azetidine-3-carboxylic acid (CID 142773778) is 1-(propan-2-ylamino)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)azetidine-3-carboxylic acid is CC(C)NN1CC(C(=O)O)C1.
What is the InChIKey of 1-(propan-2-ylamino)azetidine-3-carboxylic acid?
The InChIKey is ITILZBNCSBBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)8-9-3-6(4-9)7(10)11/h5-6,8H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 1-(propan-2-ylamino)azetidine-3-carboxylic acid?
1-(propan-2-ylamino)azetidine-3-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)azetidine-3-carboxylic acid is sourced from PubChem (CID 142773778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).