4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid

C13H25N3O4 — CID 103159409

IUPAC4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
SMILESCCN1CCN(C(=O)NCC(CC(=O)O)OC)CC1C
InChIInChI=1S/C13H25N3O4/c1-4-15-5-6-16(9-10(15)2)13(19)14-8-11(20-3)7-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyVHBKBBBVRUEVOZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.21
Rot. Bonds6

About 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid

4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid (PubChem CID 103159409) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
PubChem CID103159409
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
SMILESCCN1CCN(C(=O)NCC(CC(=O)O)OC)CC1C
InChIInChI=1S/C13H25N3O4/c1-4-15-5-6-16(9-10(15)2)13(19)14-8-11(20-3)7-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyVHBKBBBVRUEVOZ-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic 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

3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110182
3-methoxy-4-[(2-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103160015
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103158808
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 65226566
3-methoxy-4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 103160151
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 103159359
3-methoxy-4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103159678
3-methoxy-4-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 103159795
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
3-methoxy-4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 103159285
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63615523
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid (CID 103159409) is 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid is CCN1CCN(C(=O)NCC(CC(=O)O)OC)CC1C.
What is the InChIKey of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
The InChIKey is VHBKBBBVRUEVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-15-5-6-16(9-10(15)2)13(19)14-8-11(20-3)7-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103159409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).