[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium

C11H20N3O3+ — CID 8792194

IUPAC[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
SMILESCCOC(=O)NC(=O)C[NH+](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)/p+1
InChIKeyNVCNNGJUMCABLR-UHFFFAOYSA-O
MW242.30 g/mol
LogP-0.68
Rot. Bonds6

About [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium

[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium (PubChem CID 8792194) has the molecular formula C11H20N3O3+ and a molecular weight of 242.30 g/mol. Its IUPAC name is [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
PubChem CID8792194
Molecular FormulaC11H20N3O3+
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
SMILESCCOC(=O)NC(=O)C[NH+](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)/p+1
InChIKeyNVCNNGJUMCABLR-UHFFFAOYSA-O
XLogP-0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 22084539
tert-butyl N-[2-(2-cyanoethylamino)-2-oxoethyl]carbamate
CID 54348754
Tert-butyl {2-[(2-cyanoethyl)amino]-2-oxoethyl}ethylcarbamate
CID 86696220
2-methylpropyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 154548581
2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 176888944
2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 3127488
2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate
CID 4257104
[2-(Tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8767198
2-Cyanoethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8791989
ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate
CID 8791990
ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate
CID 8792195
[(2S)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792222

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium (CID 8792194) is [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium is CCOC(=O)NC(=O)C[NH+](CC)CC(C)C#N.
What is the InChIKey of [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is NVCNNGJUMCABLR-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 242.30 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8792194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).