2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid

C8H16N2O4 — CID 43466021

IUPAC2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
SMILESCOCCCNC(=O)CNCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-14-4-2-3-10-7(11)5-9-6-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyOXLIKFKCEMSSAQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.19
Rot. Bonds8

About 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid

2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43466021) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43466021
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
SMILESCOCCCNC(=O)CNCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-14-4-2-3-10-7(11)5-9-6-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyOXLIKFKCEMSSAQ-UHFFFAOYSA-N
XLogP-1.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid (CID 43466021) is 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid is COCCCNC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is OXLIKFKCEMSSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-14-4-2-3-10-7(11)5-9-6-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid?
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 204.23 g/mol, XLogP of -1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).