3-ethoxy-2-formamidopropanoic acid

C6H11NO4 — CID 81079931

IUPAC3-ethoxy-2-formamidopropanoic acid
SMILESCCOCC(NC=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-11-3-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyZTDBRQXIRUQEJJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.78
Rot. Bonds6

About 3-ethoxy-2-formamidopropanoic acid

3-ethoxy-2-formamidopropanoic acid (PubChem CID 81079931) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-ethoxy-2-formamidopropanoic acid.

Molecular Properties

Compound Name3-ethoxy-2-formamidopropanoic acid
PubChem CID81079931
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-ethoxy-2-formamidopropanoic acid
SMILESCCOCC(NC=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-11-3-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyZTDBRQXIRUQEJJ-UHFFFAOYSA-N
XLogP-0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-ethoxy-2-(phosphonomethylamino)propanoic acid
CID 90871035
2-formamido-5-methoxy-4-methylpentanoic acid
CID 116502113
3-(1-ethoxy-1-oxobutan-2-yl)sulfanyl-2-formamidopropanoic acid
CID 64663170
4-(3,3-diethoxypropylsulfanyl)-2-formamidobutanoic acid
CID 81094819
2-formamido-3-(3-methoxysulfanylpropanoyloxy)propanoic acid
CID 170200038
2-formamido-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butanoic acid
CID 104563590
2-(2-carboxy-2-formamidoethyl)sulfanylbutanoic acid
CID 64663169
2-formamido-6-methoxyhexanoic acid
CID 104647734
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
(2S)-3-cyclopropyl-2-formamidopropanoic acid
CID 130520889
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
2-(2-carboxy-2-formamidoethyl)sulfanylpentanoic acid
CID 83042092

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-formamidopropanoic acid?
The IUPAC name of 3-ethoxy-2-formamidopropanoic acid (CID 81079931) is 3-ethoxy-2-formamidopropanoic acid.
What is the SMILES notation for 3-ethoxy-2-formamidopropanoic acid?
The canonical SMILES for 3-ethoxy-2-formamidopropanoic acid is CCOCC(NC=O)C(=O)O.
What is the InChIKey of 3-ethoxy-2-formamidopropanoic acid?
The InChIKey is ZTDBRQXIRUQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-11-3-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-ethoxy-2-formamidopropanoic acid?
3-ethoxy-2-formamidopropanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-formamidopropanoic acid is sourced from PubChem (CID 81079931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).