(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid

C10H19NO6 — CID 175753969

IUPAC(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
SMILESCOCCOCCN[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H19NO6/c1-16-6-7-17-5-4-11-8(10(14)15)2-3-9(12)13/h8,11H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyPZFAZYCNHCALGW-QMMMGPOBSA-N
MW249.26 g/mol
LogP-0.44
Rot. Bonds11

About (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid

(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid (PubChem CID 175753969) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
PubChem CID175753969
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
SMILESCOCCOCCN[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H19NO6/c1-16-6-7-17-5-4-11-8(10(14)15)2-3-9(12)13/h8,11H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyPZFAZYCNHCALGW-QMMMGPOBSA-N
XLogP-0.44
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxy-3-oxopropyl)amino]pentanedioic acid
CID 123728829
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
2-[2-[2-[2-(1,2-dicarboxyethylamino)ethoxy]ethoxy]ethylamino]butanedioic acid;hydrochloride
CID 154696995
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
CID 67284187
2-(2-methoxyethylamino)-4-methylsulfanylbutanoic acid
CID 62541222
(2S)-2-(3-deuteriopropylamino)pentanedioic acid
CID 141245026
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
20-[[1-carboxy-4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]icosanoic acid
CID 156793103
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid (CID 175753969) is (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid is COCCOCCN[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid?
The InChIKey is PZFAZYCNHCALGW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO6/c1-16-6-7-17-5-4-11-8(10(14)15)2-3-9(12)13/h8,11H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid?
(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid has a molecular weight of 249.26 g/mol, XLogP of -0.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid is sourced from PubChem (CID 175753969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).