2-hydroxy-3-(2-methoxyethylamino)butanedioic acid

C7H13NO6 — CID 118539637

IUPAC2-hydroxy-3-(2-methoxyethylamino)butanedioic acid
SMILESCOCCNC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C7H13NO6/c1-14-3-2-8-4(6(10)11)5(9)7(12)13/h4-5,8-9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyPFLWTZLBJHPJMG-UHFFFAOYSA-N
MW207.18 g/mol
LogP-1.88
Rot. Bonds7

About 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid

2-hydroxy-3-(2-methoxyethylamino)butanedioic acid (PubChem CID 118539637) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methoxyethylamino)butanedioic acid
PubChem CID118539637
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-hydroxy-3-(2-methoxyethylamino)butanedioic acid
SMILESCOCCNC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C7H13NO6/c1-14-3-2-8-4(6(10)11)5(9)7(12)13/h4-5,8-9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyPFLWTZLBJHPJMG-UHFFFAOYSA-N
XLogP-1.88
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-3-methylhexanoic acid
CID 62542076
methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate
CID 116502084
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
2-(2-methoxyethylamino)-4-methylsulfanylbutanoic acid
CID 62541222
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
(2R,3R,4S)-3-hydroxy-2-(2-methoxyethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 11269056
[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid
CID 87440230
2-[[4-(2-methoxyethylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82043220
(2S,3R)-3-hydroxy-2-(3-methoxypropylcarbamoylamino)butanoic acid
CID 104965839

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid?
The IUPAC name of 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid (CID 118539637) is 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid?
The canonical SMILES for 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid is COCCNC(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid?
The InChIKey is PFLWTZLBJHPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6/c1-14-3-2-8-4(6(10)11)5(9)7(12)13/h4-5,8-9H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid?
2-hydroxy-3-(2-methoxyethylamino)butanedioic acid has a molecular weight of 207.18 g/mol, XLogP of -1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methoxyethylamino)butanedioic acid is sourced from PubChem (CID 118539637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).