methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate

C11H20N2O3 — CID 165441012

IUPACmethyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate
SMILESCCC1CCNCC1NC(=O)CC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-8-4-5-12-7-9(8)13-10(14)6-11(15)16-2/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyCLTMODNNCZQGJM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.05
Rot. Bonds4

About methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate

methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate (PubChem CID 165441012) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate
PubChem CID165441012
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate
SMILESCCC1CCNCC1NC(=O)CC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-8-4-5-12-7-9(8)13-10(14)6-11(15)16-2/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyCLTMODNNCZQGJM-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
(3-ethylpiperidin-4-yl)urea
CID 122589818
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 131089746
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
methyl 3-(3-hydroxypiperidin-4-yl)propanoate
CID 105442552
methyl pyrrolidine-3-carboxylate
CID 4114360
N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide
CID 142193991
methyl 3-piperidin-4-ylbut-3-enoate
CID 117268304

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate?
The IUPAC name of methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate (CID 165441012) is methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate is CCC1CCNCC1NC(=O)CC(=O)OC.
What is the InChIKey of methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate?
The InChIKey is CLTMODNNCZQGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8-4-5-12-7-9(8)13-10(14)6-11(15)16-2/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate?
methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate has a molecular weight of 228.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 165441012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).