2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid

C12H22N2O3 — CID 62637552

IUPAC2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCCC1CCCCN1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-10-7-5-6-8-14(10)12(17)13(3)9(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyGCTLKGJEDFUXJE-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds3

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

2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 62637552) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID62637552
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
SMILESCCC1CCCCN1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-10-7-5-6-8-14(10)12(17)13(3)9(2)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyGCTLKGJEDFUXJE-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 55096838
3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62218106
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66265512
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid (CID 62637552) is 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid is CCC1CCCCN1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is GCTLKGJEDFUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-10-7-5-6-8-14(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-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid?
2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62637552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).