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

C14H25N3O3 — CID 63616193

IUPAC3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCCN1CCN(C(=O)N(CCC(=O)O)C2CC2)CC1C
InChIInChI=1S/C14H25N3O3/c1-3-15-8-9-16(10-11(15)2)14(20)17(12-4-5-12)7-6-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyLLQPSCBBNYMNHV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds5

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

3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 63616193) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID63616193
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCCN1CCN(C(=O)N(CCC(=O)O)C2CC2)CC1C
InChIInChI=1S/C14H25N3O3/c1-3-15-8-9-16(10-11(15)2)14(20)17(12-4-5-12)7-6-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyLLQPSCBBNYMNHV-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82848014
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63615523
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 81474450
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid (CID 63616193) is 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid is CCN1CCN(C(=O)N(CCC(=O)O)C2CC2)CC1C.
What is the InChIKey of 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is LLQPSCBBNYMNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-15-8-9-16(10-11(15)2)14(20)17(12-4-5-12)7-6-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63616193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).