2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid

C14H27N3O3 — CID 65226566

IUPAC2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCN(CC)C(C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-6-12(13(18)19)9-15-14(20)17-8-7-16(5-2)11(3)10-17/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyBXTBEJWRENEBAS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid

2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65226566) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID65226566
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCN(CC)C(C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-6-12(13(18)19)9-15-14(20)17-8-7-16(5-2)11(3)10-17/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyBXTBEJWRENEBAS-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic 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
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103159409
2-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
2-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]pentanoic acid
CID 65220702
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
CID 114798779
2-[(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)methyl]pentanoic acid
CID 65223617
2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 65223287
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107827805

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid (CID 65226566) is 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)N1CCN(CC)C(C)C1)C(=O)O.
What is the InChIKey of 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is BXTBEJWRENEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-6-12(13(18)19)9-15-14(20)17-8-7-16(5-2)11(3)10-17/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65226566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).