1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid

C14H26N2O4 — CID 103259024

IUPAC1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCC(CCO)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-2-11(5-8-17)9-15-10-13(18)16-6-3-12(4-7-16)14(19)20/h11-12,15,17H,2-10H2,1H3,(H,19,20)
InChIKeyUBCPLFLSRUQUIT-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.31
Rot. Bonds8

About 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103259024) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103259024
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCC(CCO)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-2-11(5-8-17)9-15-10-13(18)16-6-3-12(4-7-16)14(19)20/h11-12,15,17H,2-10H2,1H3,(H,19,20)
InChIKeyUBCPLFLSRUQUIT-UHFFFAOYSA-N
XLogP0.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 114154411
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-[2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106305639

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid (CID 103259024) is 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid is CCC(CCO)CNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is UBCPLFLSRUQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-11(5-8-17)9-15-10-13(18)16-6-3-12(4-7-16)14(19)20/h11-12,15,17H,2-10H2,1H3,(H,19,20).
What are the key properties of 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103259024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).