2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid

C13H24N2O2 — CID 83996764

IUPAC2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
SMILESCCC1CC(NCC2CC2)CN(CC(=O)O)C1
InChIInChI=1S/C13H24N2O2/c1-2-10-5-12(14-6-11-3-4-11)8-15(7-10)9-13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyODCZRPNPLYVYIC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.17
Rot. Bonds6

About 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid

2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid (PubChem CID 83996764) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
PubChem CID83996764
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
SMILESCCC1CC(NCC2CC2)CN(CC(=O)O)C1
InChIInChI=1S/C13H24N2O2/c1-2-10-5-12(14-6-11-3-4-11)8-15(7-10)9-13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyODCZRPNPLYVYIC-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83991921
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]ethanol
CID 83996841
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
N-[2-[3-(cyclopentylmethylamino)-5-ethylpiperidin-1-yl]ethyl]acetamide
CID 83998272
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid (CID 83996764) is 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid is CCC1CC(NCC2CC2)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid?
The InChIKey is ODCZRPNPLYVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-10-5-12(14-6-11-3-4-11)8-15(7-10)9-13(16)17/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid?
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 83996764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).