2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid

C13H14N2O5 — CID 23213435

IUPAC2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O5/c16-11(17)7-15-6-10(12(15)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17)
InChIKeyXZYSSLBQKFSHLA-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid

2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid (PubChem CID 23213435) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
PubChem CID23213435
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O5/c16-11(17)7-15-6-10(12(15)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17)
InChIKeyXZYSSLBQKFSHLA-UHFFFAOYSA-N
XLogP0.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
sodium;hydride;2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 173435022
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 142159179
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid
CID 13366890
methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate
CID 86739707
2-[(3S,5aS)-2-oxo-3-(phenylmethoxycarbonylamino)-3,4,5,5a,6,7,8,9-octahydropyrido[1,2-b]diazepin-1-yl]acetic acid
CID 22873112
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
1-[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl]azetidine-2-carboxylic acid
CID 70453484

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid (CID 23213435) is 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid is O=C(O)CN1CC(NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid?
The InChIKey is XZYSSLBQKFSHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-11(17)7-15-6-10(12(15)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17).
What are the key properties of 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid?
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid has a molecular weight of 278.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid is sourced from PubChem (CID 23213435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).