2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid

C13H26N2O2 — CID 106632468

IUPAC2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)CC1CCCCN1
InChIInChI=1S/C13H26N2O2/c1-3-7-12(13(16)17)15(4-2)10-11-8-5-6-9-14-11/h11-12,14H,3-10H2,1-2H3,(H,16,17)
InChIKeyCMURZQKJQLEQQM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds7

About 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid

2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid (PubChem CID 106632468) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid
PubChem CID106632468
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)CC1CCCCN1
InChIInChI=1S/C13H26N2O2/c1-3-7-12(13(16)17)15(4-2)10-11-8-5-6-9-14-11/h11-12,14H,3-10H2,1-2H3,(H,16,17)
InChIKeyCMURZQKJQLEQQM-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
CID 106632589
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-N-(piperidin-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 106622495
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N,2-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106610385
2,2-difluoro-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625526

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid (CID 106632468) is 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CC)CC1CCCCN1.
What is the InChIKey of 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid?
The InChIKey is CMURZQKJQLEQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-12(13(16)17)15(4-2)10-11-8-5-6-9-14-11/h11-12,14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid?
2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 106632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).