2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid

C12H22N2O4 — CID 64667745

IUPAC2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
SMILESCCOC(=O)N1CCC(NC(CC)C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-10(11(15)16)13-9-5-7-14(8-6-9)12(17)18-4-2/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyCWTIIOIWULTWFR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds5

About 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid

2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid (PubChem CID 64667745) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
PubChem CID64667745
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
SMILESCCOC(=O)N1CCC(NC(CC)C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-10(11(15)16)13-9-5-7-14(8-6-9)12(17)18-4-2/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyCWTIIOIWULTWFR-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
CID 115352992
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
CID 115353170
2-(cyclopentylamino)butanoic acid
CID 60998249
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 65333122
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid (CID 64667745) is 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid is CCOC(=O)N1CCC(NC(CC)C(=O)O)CC1.
What is the InChIKey of 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is CWTIIOIWULTWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-10(11(15)16)13-9-5-7-14(8-6-9)12(17)18-4-2/h9-10,13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid?
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 64667745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).