3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

C12H22N2O4 — CID 114221407

IUPAC3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCOC1CCN(C(=O)NCC(C)C(=O)O)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-8(11(15)16)7-13-12(17)14-5-4-10(18-3)6-9(14)2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyVWAUXVPRLVGTSJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds4

About 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 114221407) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID114221407
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCOC1CCN(C(=O)NCC(C)C(=O)O)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-8(11(15)16)7-13-12(17)14-5-4-10(18-3)6-9(14)2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyVWAUXVPRLVGTSJ-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114220970
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
2-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
CID 130775761
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
CID 114221286
1-(2-cyclopropylpropylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744532
2-methyl-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
CID 79943120
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65319645
1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102699792
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 114221407) is 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is COC1CCN(C(=O)NCC(C)C(=O)O)C(C)C1.
What is the InChIKey of 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is VWAUXVPRLVGTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(11(15)16)7-13-12(17)14-5-4-10(18-3)6-9(14)2/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114221407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).