ethyl 2-(carbamoyl(15N)amino)acetate

C5H10N2O3 — CID 46781708

IUPACethyl 2-(carbamoyl(15N)amino)acetate
SMILESCCOC(=O)[13CH2][15NH]C(N)=O
InChIInChI=1S/C5H10N2O3/c1-2-10-4(8)3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)/i3+1,7+1
InChIKeyYKPKXMAVLXBQDT-ZEXVBMBZSA-N
MW148.13 g/mol
LogP-0.78
Rot. Bonds3

About ethyl 2-(carbamoyl(15N)amino)acetate

ethyl 2-(carbamoyl(15N)amino)acetate (PubChem CID 46781708) has the molecular formula C5H10N2O3 and a molecular weight of 148.13 g/mol. Its IUPAC name is ethyl 2-(carbamoyl(15N)amino)acetate.

Molecular Properties

Compound Nameethyl 2-(carbamoyl(15N)amino)acetate
PubChem CID46781708
Molecular FormulaC5H10N2O3
Molecular Weight148.13 g/mol
Exact Mass148.07
IUPAC Nameethyl 2-(carbamoyl(15N)amino)acetate
SMILESCCOC(=O)[13CH2][15NH]C(N)=O
InChIInChI=1S/C5H10N2O3/c1-2-10-4(8)3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)/i3+1,7+1
InChIKeyYKPKXMAVLXBQDT-ZEXVBMBZSA-N
XLogP-0.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
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ethyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]acetate
CID 60812140
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
4-O-ethyl 1-O-methyl butanedioate
CID 522068
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(carbamoyl(15N)amino)acetate?
The IUPAC name of ethyl 2-(carbamoyl(15N)amino)acetate (CID 46781708) is ethyl 2-(carbamoyl(15N)amino)acetate.
What is the SMILES notation for ethyl 2-(carbamoyl(15N)amino)acetate?
The canonical SMILES for ethyl 2-(carbamoyl(15N)amino)acetate is CCOC(=O)[13CH2][15NH]C(N)=O.
What is the InChIKey of ethyl 2-(carbamoyl(15N)amino)acetate?
The InChIKey is YKPKXMAVLXBQDT-ZEXVBMBZSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-2-10-4(8)3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)/i3+1,7+1.
What are the key properties of ethyl 2-(carbamoyl(15N)amino)acetate?
ethyl 2-(carbamoyl(15N)amino)acetate has a molecular weight of 148.13 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(carbamoyl(15N)amino)acetate is sourced from PubChem (CID 46781708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).