2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate

C8H16N4O4 — CID 83211432

IUPAC2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
SMILESCNC(=O)NC(=O)C(C)NCCOC(N)=O
InChIInChI=1S/C8H16N4O4/c1-5(6(13)12-8(15)10-2)11-3-4-16-7(9)14/h5,11H,3-4H2,1-2H3,(H2,9,14)(H2,10,12,13,15)
InChIKeyBAHGZBMAKMPZAQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.48
Rot. Bonds5

About 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate

2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate (PubChem CID 83211432) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
PubChem CID83211432
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Name2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
SMILESCNC(=O)NC(=O)C(C)NCCOC(N)=O
InChIInChI=1S/C8H16N4O4/c1-5(6(13)12-8(15)10-2)11-3-4-16-7(9)14/h5,11H,3-4H2,1-2H3,(H2,9,14)(H2,10,12,13,15)
InChIKeyBAHGZBMAKMPZAQ-UHFFFAOYSA-N
XLogP-1.48
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
CID 63826610
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811365
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate (CID 83211432) is 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate is CNC(=O)NC(=O)C(C)NCCOC(N)=O.
What is the InChIKey of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
The InChIKey is BAHGZBMAKMPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4/c1-5(6(13)12-8(15)10-2)11-3-4-16-7(9)14/h5,11H,3-4H2,1-2H3,(H2,9,14)(H2,10,12,13,15).
What are the key properties of 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate?
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate has a molecular weight of 232.24 g/mol, XLogP of -1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate is sourced from PubChem (CID 83211432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).