ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate

C11H20N2O3 — CID 81141597

IUPACethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H20N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyQMRQXAOYURZGGT-SECBINFHSA-N
MW228.29 g/mol
LogP0.06
Rot. Bonds5

About ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate

ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate (PubChem CID 81141597) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
PubChem CID81141597
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H20N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyQMRQXAOYURZGGT-SECBINFHSA-N
XLogP0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-(diethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 81124971
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119317958
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate (CID 81141597) is ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate?
The InChIKey is QMRQXAOYURZGGT-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate?
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 81141597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).