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

C9H17N3O4 — CID 60811365

IUPACethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(C)C(=O)NC(=O)NC
InChIInChI=1S/C9H17N3O4/c1-4-16-7(13)5-11-6(2)8(14)12-9(15)10-3/h6,11H,4-5H2,1-3H3,(H2,10,12,14,15)
InChIKeyKDIQONITUKDONR-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.02
Rot. Bonds5

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

ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate (PubChem CID 60811365) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
PubChem CID60811365
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Nameethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(C)C(=O)NC(=O)NC
InChIInChI=1S/C9H17N3O4/c1-4-16-7(13)5-11-6(2)8(14)12-9(15)10-3/h6,11H,4-5H2,1-3H3,(H2,10,12,14,15)
InChIKeyKDIQONITUKDONR-UHFFFAOYSA-N
XLogP-1.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
2-aminooxy-N-(methylcarbamoyl)propanamide
CID 106938638
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-methylpropanamide
CID 61464497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate (CID 60811365) is ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate is CCOC(=O)CNC(C)C(=O)NC(=O)NC.
What is the InChIKey of ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
The InChIKey is KDIQONITUKDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-4-16-7(13)5-11-6(2)8(14)12-9(15)10-3/h6,11H,4-5H2,1-3H3,(H2,10,12,14,15).
What are the key properties of ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate?
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate has a molecular weight of 231.25 g/mol, XLogP of -1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate is sourced from PubChem (CID 60811365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).