ethyl 3-[carbamoyl(methyl)amino]propanoate

C7H14N2O3 — CID 57081518

IUPACethyl 3-[carbamoyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-3-12-6(10)4-5-9(2)7(8)11/h3-5H2,1-2H3,(H2,8,11)
InChIKeyBNLGKAQRNZRZGI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.05
Rot. Bonds4

About ethyl 3-[carbamoyl(methyl)amino]propanoate

ethyl 3-[carbamoyl(methyl)amino]propanoate (PubChem CID 57081518) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 3-[carbamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[carbamoyl(methyl)amino]propanoate
PubChem CID57081518
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl 3-[carbamoyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-3-12-6(10)4-5-9(2)7(8)11/h3-5H2,1-2H3,(H2,8,11)
InChIKeyBNLGKAQRNZRZGI-UHFFFAOYSA-N
XLogP-0.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[carbamoyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[carbamoyl(methyl)amino]propanoate (CID 57081518) is ethyl 3-[carbamoyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[carbamoyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[carbamoyl(methyl)amino]propanoate is CCOC(=O)CCN(C)C(N)=O.
What is the InChIKey of ethyl 3-[carbamoyl(methyl)amino]propanoate?
The InChIKey is BNLGKAQRNZRZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-12-6(10)4-5-9(2)7(8)11/h3-5H2,1-2H3,(H2,8,11).
What are the key properties of ethyl 3-[carbamoyl(methyl)amino]propanoate?
ethyl 3-[carbamoyl(methyl)amino]propanoate has a molecular weight of 174.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[carbamoyl(methyl)amino]propanoate is sourced from PubChem (CID 57081518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).