3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid

C13H25N3O3 — CID 62232103

IUPAC3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
SMILESCN(C)CCN(C(=O)CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-14(2)8-9-16(12(17)10-13(18)19)11-4-6-15(3)7-5-11/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyMRKWVHSUKLATJV-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.05
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid

3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid (PubChem CID 62232103) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
PubChem CID62232103
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
SMILESCN(C)CCN(C(=O)CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-14(2)8-9-16(12(17)10-13(18)19)11-4-6-15(3)7-5-11/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyMRKWVHSUKLATJV-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic 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

5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(1-methylpiperidin-4-yl)butanamide
CID 79203320
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950158
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
CID 60948355
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 114014439
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 61266425
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
4-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79210135
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 79805247
2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60954174

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid (CID 62232103) is 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid is CN(C)CCN(C(=O)CC(=O)O)C1CCN(C)CC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid?
The InChIKey is MRKWVHSUKLATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-14(2)8-9-16(12(17)10-13(18)19)11-4-6-15(3)7-5-11/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid?
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid has a molecular weight of 271.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62232103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).