(3R)-3-(benzylamino)oxolane-3-carboxylic acid

C12H15NO3 — CID 95380078

IUPAC(3R)-3-(benzylamino)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@]1(NCc2ccccc2)CCOC1
InChIInChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1
InChIKeyUZLSSCFGNVYENJ-GFCCVEGCSA-N
MW221.26 g/mol
LogP1.02
Rot. Bonds4

About (3R)-3-(benzylamino)oxolane-3-carboxylic acid

(3R)-3-(benzylamino)oxolane-3-carboxylic acid (PubChem CID 95380078) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R)-3-(benzylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(benzylamino)oxolane-3-carboxylic acid
PubChem CID95380078
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R)-3-(benzylamino)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@]1(NCc2ccccc2)CCOC1
InChIInChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1
InChIKeyUZLSSCFGNVYENJ-GFCCVEGCSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzylamino)oxolane-3-carboxylic acid?
The IUPAC name of (3R)-3-(benzylamino)oxolane-3-carboxylic acid (CID 95380078) is (3R)-3-(benzylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(benzylamino)oxolane-3-carboxylic acid?
The canonical SMILES for (3R)-3-(benzylamino)oxolane-3-carboxylic acid is O=C(O)[C@@]1(NCc2ccccc2)CCOC1.
What is the InChIKey of (3R)-3-(benzylamino)oxolane-3-carboxylic acid?
The InChIKey is UZLSSCFGNVYENJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1.
What are the key properties of (3R)-3-(benzylamino)oxolane-3-carboxylic acid?
(3R)-3-(benzylamino)oxolane-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 95380078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).