ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate

C12H24N2O3 — CID 104980485

IUPACethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](CC)CO)CC1
InChIInChI=1S/C12H24N2O3/c1-3-10(9-15)13-11-5-7-14(8-6-11)12(16)17-4-2/h10-11,13,15H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyACMWGBBWWWGUPM-JTQLQIEISA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds5

About ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate (PubChem CID 104980485) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
PubChem CID104980485
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](CC)CO)CC1
InChIInChI=1S/C12H24N2O3/c1-3-10(9-15)13-11-5-7-14(8-6-11)12(16)17-4-2/h10-11,13,15H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyACMWGBBWWWGUPM-JTQLQIEISA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate
CID 61246563
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
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-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate (CID 104980485) is ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N[C@@H](CC)CO)CC1.
What is the InChIKey of ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is ACMWGBBWWWGUPM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-10(9-15)13-11-5-7-14(8-6-11)12(16)17-4-2/h10-11,13,15H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 104980485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).