ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate

C10H21N3O3 — CID 11806511

IUPACethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C)CN(C)C
InChIInChI=1S/C10H21N3O3/c1-5-16-9(14)6-11-10(15)12-8(2)7-13(3)4/h8H,5-7H2,1-4H3,(H2,11,12,15)
InChIKeyAMZZUEQLZLXCTR-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.20
Rot. Bonds6

About ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate

ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate (PubChem CID 11806511) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
PubChem CID11806511
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nameethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C)CN(C)C
InChIInChI=1S/C10H21N3O3/c1-5-16-9(14)6-11-10(15)12-8(2)7-13(3)4/h8H,5-7H2,1-4H3,(H2,11,12,15)
InChIKeyAMZZUEQLZLXCTR-UHFFFAOYSA-N
XLogP-0.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567
ethyl 2-(2-methylpentan-3-ylcarbamoylamino)acetate
CID 61471057
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate (CID 11806511) is ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NC(C)CN(C)C.
What is the InChIKey of ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate?
The InChIKey is AMZZUEQLZLXCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-5-16-9(14)6-11-10(15)12-8(2)7-13(3)4/h8H,5-7H2,1-4H3,(H2,11,12,15).
What are the key properties of ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate?
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate has a molecular weight of 231.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate is sourced from PubChem (CID 11806511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).