4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid

C10H20N2O5 — CID 64890122

IUPAC4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
SMILESCOCCOCCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-6-7-17-5-4-12-10(15)8(11)2-3-9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyLSOVPUCJYHRPOO-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.04
Rot. Bonds10

About 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid (PubChem CID 64890122) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
PubChem CID64890122
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
SMILESCOCCOCCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-6-7-17-5-4-12-10(15)8(11)2-3-9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyLSOVPUCJYHRPOO-UHFFFAOYSA-N
XLogP-1.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.04
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

4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 175504926
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
(2S)-2-[3-[2-[2-[2-[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanedioic acid
CID 87307752
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid
CID 59434615
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid (CID 64890122) is 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid is COCCOCCNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid?
The InChIKey is LSOVPUCJYHRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-16-6-7-17-5-4-12-10(15)8(11)2-3-9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64890122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).