ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate

C11H19N3O3 — CID 8792195

IUPACethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(C)C#N
InChIInChI=1S/C11H19N3O3/c1-4-14(7-9(3)6-12)8-10(15)13-11(16)17-5-2/h9H,4-5,7-8H2,1-3H3,(H,13,15,16)
InChIKeyNVCNNGJUMCABLR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds6

About ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate (PubChem CID 8792195) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate
PubChem CID8792195
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(C)C#N
InChIInChI=1S/C11H19N3O3/c1-4-14(7-9(3)6-12)8-10(15)13-11(16)17-5-2/h9H,4-5,7-8H2,1-3H3,(H,13,15,16)
InChIKeyNVCNNGJUMCABLR-UHFFFAOYSA-N
XLogP0.74
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 8767199
2-Cyanoethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8791989
ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate
CID 8791990
[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792194
[(2S)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792222
ethyl N-[2-[[(2S)-2-cyanopropyl]-ethylamino]acetyl]carbamate
CID 8792223
[2-[2-Cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792379
ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792380
2-[2-cyanoethyl(2-methylpropyl)amino]-N-(3-methoxypropyl)acetamide
CID 54940344
2-[2-cyanopropyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 54988394
2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715077
Methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60965011

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate (CID 8792195) is ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(C)C#N.
What is the InChIKey of ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate?
The InChIKey is NVCNNGJUMCABLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-14(7-9(3)6-12)8-10(15)13-11(16)17-5-2/h9H,4-5,7-8H2,1-3H3,(H,13,15,16).
What are the key properties of ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8792195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).