benzyl N-(3-aminopropanoyl)carbamate

C11H14N2O3 — CID 54479844

IUPACbenzyl N-(3-aminopropanoyl)carbamate
SMILESNCCC(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O3/c12-7-6-10(14)13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14,15)
InChIKeyAPJMFHLJXVBWMA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.79
Rot. Bonds4

About benzyl N-(3-aminopropanoyl)carbamate

benzyl N-(3-aminopropanoyl)carbamate (PubChem CID 54479844) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is benzyl N-(3-aminopropanoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-aminopropanoyl)carbamate
PubChem CID54479844
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namebenzyl N-(3-aminopropanoyl)carbamate
SMILESNCCC(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O3/c12-7-6-10(14)13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14,15)
InChIKeyAPJMFHLJXVBWMA-UHFFFAOYSA-N
XLogP0.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[N'-(2-aminoethyl)-N-phenylmethoxycarbonylcarbamimidoyl]carbamate
CID 70952409
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
3-(2-aminoethoxy)-N-phenylmethoxypropanamide
CID 130524558
benzyl N-[N'-(3-aminopropyl)carbamimidoyl]carbamate
CID 15308290
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-chlorocarbamate
CID 2755304
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661
benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
CID 58214768
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-aminopropanoyl)carbamate?
The IUPAC name of benzyl N-(3-aminopropanoyl)carbamate (CID 54479844) is benzyl N-(3-aminopropanoyl)carbamate.
What is the SMILES notation for benzyl N-(3-aminopropanoyl)carbamate?
The canonical SMILES for benzyl N-(3-aminopropanoyl)carbamate is NCCC(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-aminopropanoyl)carbamate?
The InChIKey is APJMFHLJXVBWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-7-6-10(14)13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14,15).
What are the key properties of benzyl N-(3-aminopropanoyl)carbamate?
benzyl N-(3-aminopropanoyl)carbamate has a molecular weight of 222.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-aminopropanoyl)carbamate is sourced from PubChem (CID 54479844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).