3-[ethoxycarbonyl(ethyl)amino]propanoic acid

C8H15NO4 — CID 22758760

IUPAC3-[ethoxycarbonyl(ethyl)amino]propanoic acid
SMILESCCOC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-9(6-5-7(10)11)8(12)13-4-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyBPGUSGVDNDGUJT-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.94
Rot. Bonds5

About 3-[ethoxycarbonyl(ethyl)amino]propanoic acid

3-[ethoxycarbonyl(ethyl)amino]propanoic acid (PubChem CID 22758760) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[ethoxycarbonyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethoxycarbonyl(ethyl)amino]propanoic acid
PubChem CID22758760
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-[ethoxycarbonyl(ethyl)amino]propanoic acid
SMILESCCOC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-9(6-5-7(10)11)8(12)13-4-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyBPGUSGVDNDGUJT-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
CID 174331184
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
ethyl N-ethyl-N-(isocyanatomethyl)carbamate
CID 165346091
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoic acid;ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
CID 162128156
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid
CID 103925566

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[ethoxycarbonyl(ethyl)amino]propanoic acid (CID 22758760) is 3-[ethoxycarbonyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[ethoxycarbonyl(ethyl)amino]propanoic acid is CCOC(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
The InChIKey is BPGUSGVDNDGUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-9(6-5-7(10)11)8(12)13-4-2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
3-[ethoxycarbonyl(ethyl)amino]propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxycarbonyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 22758760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).