ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate

C11H21N3O3 — CID 61223451

IUPACethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCCN(C)C1
InChIInChI=1S/C11H21N3O3/c1-3-17-10(15)7-12-11(16)13-9-5-4-6-14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyURURXWYXLVUZDH-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.06
Rot. Bonds4

About ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate

ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate (PubChem CID 61223451) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
PubChem CID61223451
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCCN(C)C1
InChIInChI=1S/C11H21N3O3/c1-3-17-10(15)7-12-11(16)13-9-5-4-6-14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyURURXWYXLVUZDH-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
CID 43445728
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
ethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]acetate
CID 60811081
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
2-ethyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79804310
ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
CID 64743741
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
2-amino-2-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 61212019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate (CID 61223451) is ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NC1CCCN(C)C1.
What is the InChIKey of ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate?
The InChIKey is URURXWYXLVUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-17-10(15)7-12-11(16)13-9-5-4-6-14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16).
What are the key properties of ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate?
ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate has a molecular weight of 243.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate is sourced from PubChem (CID 61223451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).