benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate

C13H18N2O4 — CID 130156746

IUPACbenzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate
SMILESCOC(=O)NCC(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-10(8-14-12(16)18-2)15-13(17)19-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFBHKLWYPJIDNNY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.66
Rot. Bonds5

About benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate

benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate (PubChem CID 130156746) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate
PubChem CID130156746
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namebenzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate
SMILESCOC(=O)NCC(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-10(8-14-12(16)18-2)15-13(17)19-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFBHKLWYPJIDNNY-UHFFFAOYSA-N
XLogP1.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate (CID 130156746) is benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate is COC(=O)NCC(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate?
The InChIKey is FBHKLWYPJIDNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(8-14-12(16)18-2)15-13(17)19-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate?
benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(methoxycarbonylamino)propan-2-yl]carbamate is sourced from PubChem (CID 130156746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).