2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid

C12H24N2O3 — CID 115002512

IUPAC2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCN(C1CCNCC1)C(C)(COC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-14(10-5-7-13-8-6-10)12(2,9-17-3)11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyLAXZJNFOZKHFAN-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds6

About 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid

2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 115002512) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID115002512
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCN(C1CCNCC1)C(C)(COC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-14(10-5-7-13-8-6-10)12(2,9-17-3)11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyLAXZJNFOZKHFAN-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002746
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
CID 114991400
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002428
4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299800
N-ethyl-2,2-dimethyl-N-piperidin-4-ylpropanamide
CID 60805901
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
N-cyclohexyl-2-methoxy-N-piperidin-4-ylacetamide
CID 70252471
ethyl N-tert-butyl-N-piperidin-4-ylcarbamate
CID 167313798
N,N-diethyl-3-[ethyl(piperidin-4-yl)amino]-2-methoxypropanamide
CID 71043577
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115000283
3-[azepan-4-yl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107173279

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid (CID 115002512) is 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid is CCN(C1CCNCC1)C(C)(COC)C(=O)O.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is LAXZJNFOZKHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-14(10-5-7-13-8-6-10)12(2,9-17-3)11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid?
2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115002512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).