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

C12H23N3O3 — CID 79025288

IUPACethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H](N)CC)CC1
InChIInChI=1S/C12H23N3O3/c1-3-10(13)11(16)14-9-5-7-15(8-6-9)12(17)18-4-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyBQBPNVQGXJFHLM-JTQLQIEISA-N
MW257.33 g/mol
LogP0.46
Rot. Bonds4

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

ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate (PubChem CID 79025288) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
PubChem CID79025288
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H](N)CC)CC1
InChIInChI=1S/C12H23N3O3/c1-3-10(13)11(16)14-9-5-7-15(8-6-9)12(17)18-4-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyBQBPNVQGXJFHLM-JTQLQIEISA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
ethyl 4-(2-chloropropanoylcarbamoylamino)piperidine-1-carboxylate
CID 43328963
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
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-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate (CID 79025288) is ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@@H](N)CC)CC1.
What is the InChIKey of ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate?
The InChIKey is BQBPNVQGXJFHLM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-10(13)11(16)14-9-5-7-15(8-6-9)12(17)18-4-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)/t10-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 79025288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).