benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate

C19H24N2O5 — CID 70412580

IUPACbenzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate
SMILESC/C=C\N1C(=O)[C@@H](NC(=O)OCc2ccccc2)[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C19H24N2O5/c1-4-10-21-16(14-12-25-19(2,3)26-14)15(17(21)22)20-18(23)24-11-13-8-6-5-7-9-13/h4-10,14-16H,11-12H2,1-3H3,(H,20,23)/b10-4-/t14-,15-,16+/m0/s1
InChIKeyNWLULAOARBXALP-ROKXQWBPSA-N
MW360.41 g/mol
LogP2.18
Rot. Bonds5

About benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate

benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate (PubChem CID 70412580) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate
PubChem CID70412580
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namebenzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate
SMILESC/C=C\N1C(=O)[C@@H](NC(=O)OCc2ccccc2)[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C19H24N2O5/c1-4-10-21-16(14-12-25-19(2,3)26-14)15(17(21)22)20-18(23)24-11-13-8-6-5-7-9-13/h4-10,14-16H,11-12H2,1-3H3,(H,20,23)/b10-4-/t14-,15-,16+/m0/s1
InChIKeyNWLULAOARBXALP-ROKXQWBPSA-N
XLogP2.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate (CID 70412580) is benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate is C/C=C\N1C(=O)[C@@H](NC(=O)OCc2ccccc2)[C@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate?
The InChIKey is NWLULAOARBXALP-ROKXQWBPSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-10-21-16(14-12-25-19(2,3)26-14)15(17(21)22)20-18(23)24-11-13-8-6-5-7-9-13/h4-10,14-16H,11-12H2,1-3H3,(H,20,23)/b10-4-/t14-,15-,16+/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate?
benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 70412580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).