2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid

C11H21N3O3 — CID 61223104

IUPAC2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC1CCCN(C)C1
InChIInChI=1S/C11H21N3O3/c1-3-14(8-10(15)16)11(17)12-9-5-4-6-13(2)7-9/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySLQACHRYYGWLSL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds4

About 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid

2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 61223104) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID61223104
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC1CCCN(C)C1
InChIInChI=1S/C11H21N3O3/c1-3-14(8-10(15)16)11(17)12-9-5-4-6-13(2)7-9/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeySLQACHRYYGWLSL-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 63645788
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 79257255
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
2-[(3,5-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 64733515
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
2-[cyclopropylmethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669638
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115164768
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid (CID 61223104) is 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NC1CCCN(C)C1.
What is the InChIKey of 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is SLQACHRYYGWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-14(8-10(15)16)11(17)12-9-5-4-6-13(2)7-9/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61223104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).