3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid

C13H16N2O2 — CID 68593361

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C13H16N2O2/c16-13(17)15-7-12(8-15)14-11-5-9-3-1-2-4-10(9)6-11/h1-4,11-12,14H,5-8H2,(H,16,17)
InChIKeyNTSJRDHZMPSSKF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.11
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid

3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid (PubChem CID 68593361) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid
PubChem CID68593361
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C13H16N2O2/c16-13(17)15-7-12(8-15)14-11-5-9-3-1-2-4-10(9)6-11/h1-4,11-12,14H,5-8H2,(H,16,17)
InChIKeyNTSJRDHZMPSSKF-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid (CID 68593361) is 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid is O=C(O)N1CC(NC2Cc3ccccc3C2)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid?
The InChIKey is NTSJRDHZMPSSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(17)15-7-12(8-15)14-11-5-9-3-1-2-4-10(9)6-11/h1-4,11-12,14H,5-8H2,(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid?
3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)azetidine-1-carboxylic acid is sourced from PubChem (CID 68593361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).