2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid

C9H18N2O5 — CID 79456586

IUPAC2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
SMILESCOCCC(N)C(=O)NCCOCC(=O)O
InChIInChI=1S/C9H18N2O5/c1-15-4-2-7(10)9(14)11-3-5-16-6-8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyWBIMUPWNSHPTHI-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.43
Rot. Bonds9

About 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid

2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid (PubChem CID 79456586) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
PubChem CID79456586
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
SMILESCOCCC(N)C(=O)NCCOCC(=O)O
InChIInChI=1S/C9H18N2O5/c1-15-4-2-7(10)9(14)11-3-5-16-6-8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyWBIMUPWNSHPTHI-UHFFFAOYSA-N
XLogP-1.43
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.43
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-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]acetic acid
CID 104908717
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
CID 103930180
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid (CID 79456586) is 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid is COCCC(N)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid?
The InChIKey is WBIMUPWNSHPTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-15-4-2-7(10)9(14)11-3-5-16-6-8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid?
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid has a molecular weight of 234.25 g/mol, XLogP of -1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79456586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).