2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid

C13H24N2O3 — CID 63135315

IUPAC2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C13H24N2O3/c1-3-8-15(9-11(16)17)12(18)13(4-2)6-5-7-14-10-13/h14H,3-10H2,1-2H3,(H,16,17)
InChIKeyDJSGIEFRUBBMEJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid

2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid (PubChem CID 63135315) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
PubChem CID63135315
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C13H24N2O3/c1-3-8-15(9-11(16)17)12(18)13(4-2)6-5-7-14-10-13/h14H,3-10H2,1-2H3,(H,16,17)
InChIKeyDJSGIEFRUBBMEJ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propyl-(3-propylpiperidine-3-carbonyl)amino]acetic acid
CID 63135316
3-ethyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 63131049
N-(cyclopropylmethyl)-N,3-dipropylpiperidine-3-carboxamide
CID 55164307
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
N-butyl-N-cyclopropyl-3-ethylpiperidine-3-carboxamide
CID 63131459
3-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 55162835
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140
2-[cyclopentyl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141424
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514
N,N-bis(prop-2-enyl)-3-propylpiperidine-3-carboxamide
CID 63132269
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
CID 120613726

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid (CID 63135315) is 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1(CC)CCCNC1.
What is the InChIKey of 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid?
The InChIKey is DJSGIEFRUBBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-8-15(9-11(16)17)12(18)13(4-2)6-5-7-14-10-13/h14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid?
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 63135315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).