2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid

C13H24N2O3 — CID 63916274

IUPAC2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
SMILESCCOC1CCCN(CC(N)(C(=O)O)C2CC2)C1
InChIInChI=1S/C13H24N2O3/c1-2-18-11-4-3-7-15(8-11)9-13(14,12(16)17)10-5-6-10/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyXYPCBORKEGHCPK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.68
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid

2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid (PubChem CID 63916274) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
PubChem CID63916274
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
SMILESCCOC1CCCN(CC(N)(C(=O)O)C2CC2)C1
InChIInChI=1S/C13H24N2O3/c1-2-18-11-4-3-7-15(8-11)9-13(14,12(16)17)10-5-6-10/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyXYPCBORKEGHCPK-UHFFFAOYSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827605
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964
2-amino-2-cyclopropyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81199839
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827430
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
1-[2-(bromomethyl)-2-ethylbutyl]-3-ethoxypiperidine
CID 65003831
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
CID 63909663

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid (CID 63916274) is 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid is CCOC1CCCN(CC(N)(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid?
The InChIKey is XYPCBORKEGHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-18-11-4-3-7-15(8-11)9-13(14,12(16)17)10-5-6-10/h10-11H,2-9,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid?
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 63916274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).