2-amino-3-ethoxybutanedioic acid

C6H11NO5 — CID 56932140

IUPAC2-amino-3-ethoxybutanedioic acid
SMILESCCOC(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C6H11NO5/c1-2-12-4(6(10)11)3(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLMIUPICSSHCYED-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.11
Rot. Bonds5

About 2-amino-3-ethoxybutanedioic acid

2-amino-3-ethoxybutanedioic acid (PubChem CID 56932140) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-3-ethoxybutanedioic acid.

Molecular Properties

Compound Name2-amino-3-ethoxybutanedioic acid
PubChem CID56932140
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-amino-3-ethoxybutanedioic acid
SMILESCCOC(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C6H11NO5/c1-2-12-4(6(10)11)3(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLMIUPICSSHCYED-UHFFFAOYSA-N
XLogP-1.11
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

DL-threo-beta-Hydroxyaspartic acid
CID 443239
3-Hydroxyaspartic acid
CID 5425
beta-Hydroxy-L-aspartic acid
CID 14463
(3R)-3-hydroxy-D-aspartic acid
CID 11788378
L-erythro-3-hydroxyaspartate
CID 28125549
2-Amino-4-ethoxy-3-hydroxybutanoic acid
CID 86136791
(3S)-3-hydroxy-D-aspartic acid
CID 6603868
Aspartic Acid-4-Carboxymethyl Ester
CID 17753844
(2S,3S)-2-amino-3-(cyclobutylmethoxy)butanedioic acid
CID 145952092
(2S,3S)-2-amino-3-prop-2-ynoxybutanedioic acid
CID 145952717
(3S)-2-amino-3-hydroxybutanedioic acid
CID 16760021
(2S, 3S)-3-Amino-2-methoxy-pentanedioic acid
CID 12047098

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethoxybutanedioic acid?
The IUPAC name of 2-amino-3-ethoxybutanedioic acid (CID 56932140) is 2-amino-3-ethoxybutanedioic acid.
What is the SMILES notation for 2-amino-3-ethoxybutanedioic acid?
The canonical SMILES for 2-amino-3-ethoxybutanedioic acid is CCOC(C(=O)O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-ethoxybutanedioic acid?
The InChIKey is LMIUPICSSHCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-2-12-4(6(10)11)3(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-ethoxybutanedioic acid?
2-amino-3-ethoxybutanedioic acid has a molecular weight of 177.16 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethoxybutanedioic acid is sourced from PubChem (CID 56932140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).