2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid

C13H24N2O2 — CID 65055001

IUPAC2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
SMILESCCN1CCC(N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-14-7-5-12(6-8-14)15(10-13(16)17)9-11-3-4-11/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyFMSQBYRKPPYNBW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.27
Rot. Bonds6

About 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid

2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid (PubChem CID 65055001) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
PubChem CID65055001
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
SMILESCCN1CCC(N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-14-7-5-12(6-8-14)15(10-13(16)17)9-11-3-4-11/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyFMSQBYRKPPYNBW-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid
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2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
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2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
CID 65077241
2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043256
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
CID 163401097
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid (CID 65055001) is 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid is CCN1CCC(N(CC(=O)O)CC2CC2)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid?
The InChIKey is FMSQBYRKPPYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-14-7-5-12(6-8-14)15(10-13(16)17)9-11-3-4-11/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 65055001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).