2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid

C12H22N2O4 — CID 62639034

IUPAC2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCCOC1CCN(C(=O)N(C)C(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-4-18-10-5-7-14(8-6-10)12(17)13(3)9(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyDGENBDBRGVOLRW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds4

About 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid

2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 62639034) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID62639034
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCCOC1CCN(C(=O)N(C)C(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-4-18-10-5-7-14(8-6-10)12(17)13(3)9(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyDGENBDBRGVOLRW-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
4-(4-ethoxypiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993190
3-(4-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821841
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid (CID 62639034) is 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid is CCOC1CCN(C(=O)N(C)C(C)C(=O)O)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is DGENBDBRGVOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-18-10-5-7-14(8-6-10)12(17)13(3)9(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid?
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62639034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).