3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid

C14H27N3O3 — CID 63615060

IUPAC3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)N1CCN(C)C(C)(C)C1)C(C)CC(=O)O
InChIInChI=1S/C14H27N3O3/c1-6-17(11(2)9-12(18)19)13(20)16-8-7-15(5)14(3,4)10-16/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyPFMXWYFOPBFWJA-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.32
Rot. Bonds4

About 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid

3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 63615060) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
PubChem CID63615060
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)N1CCN(C)C(C)(C)C1)C(C)CC(=O)O
InChIInChI=1S/C14H27N3O3/c1-6-17(11(2)9-12(18)19)13(20)16-8-7-15(5)14(3,4)10-16/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyPFMXWYFOPBFWJA-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dioxopiperazine-1-carbonyl)-ethylamino]butanoic acid
CID 66062224
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 64592806
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
2-[2,2,2-trifluoroethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]acetic acid
CID 79264645
(2S,3S)-3-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614221
(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 78946628
3-[ethyl(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)amino]butanoic acid
CID 66369719
3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
CID 63026893
3-[ethyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 65364098
(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 79013019
2-(aminomethyl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 63609215
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid (CID 63615060) is 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid is CCN(C(=O)N1CCN(C)C(C)(C)C1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is PFMXWYFOPBFWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-6-17(11(2)9-12(18)19)13(20)16-8-7-15(5)14(3,4)10-16/h11H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid?
3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63615060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).