ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate

C10H19N3O3 — CID 61403470

IUPACethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H19N3O3/c1-2-16-9(14)6-12-10(15)13-5-3-4-8(11)7-13/h8H,2-7,11H2,1H3,(H,12,15)
InChIKeyVOKNDSHWENBUAY-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.32
Rot. Bonds3

About ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate

ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate (PubChem CID 61403470) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
PubChem CID61403470
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(N)C1
InChIInChI=1S/C10H19N3O3/c1-2-16-9(14)6-12-10(15)13-5-3-4-8(11)7-13/h8H,2-7,11H2,1H3,(H,12,15)
InChIKeyVOKNDSHWENBUAY-UHFFFAOYSA-N
XLogP-0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61295715
ethyl 3-aminopiperidine-1-carboxylate
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CID 42567032
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
CID 42193925
ethyl 2-[[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533742
ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533744
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
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ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
CID 61223451

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate (CID 61403470) is ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCCC(N)C1.
What is the InChIKey of ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate?
The InChIKey is VOKNDSHWENBUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-16-9(14)6-12-10(15)13-5-3-4-8(11)7-13/h8H,2-7,11H2,1H3,(H,12,15).
What are the key properties of ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate?
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate has a molecular weight of 229.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 61403470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).