3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid

C14H26N2O4 — CID 106587984

IUPAC3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
SMILESCOCC1CCCN(C(=O)N(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-11(2)16(8-6-13(17)18)14(19)15-7-4-5-12(9-15)10-20-3/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyUSHAUIXIFUIMGQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.65
Rot. Bonds6

About 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid

3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid (PubChem CID 106587984) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
PubChem CID106587984
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
SMILESCOCC1CCCN(C(=O)N(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-11(2)16(8-6-13(17)18)14(19)15-7-4-5-12(9-15)10-20-3/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyUSHAUIXIFUIMGQ-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 106587526
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
3-[(2-methylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 61208618
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 103810683
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
N-[2-[3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 164604576
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid (CID 106587984) is 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid is COCC1CCCN(C(=O)N(CCC(=O)O)C(C)C)C1.
What is the InChIKey of 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid?
The InChIKey is USHAUIXIFUIMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)16(8-6-13(17)18)14(19)15-7-4-5-12(9-15)10-20-3/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid?
3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 106587984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).