4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid

C10H18N2O3 — CID 63123860

IUPAC4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
SMILESCNCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-10(9(14)15)3-5-12(6-4-10)8(13)7-11-2/h11H,3-7H2,1-2H3,(H,14,15)
InChIKeySLIMVHCFRYQMEC-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds3

About 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid

4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 63123860) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID63123860
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
SMILESCNCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-10(9(14)15)3-5-12(6-4-10)8(13)7-11-2/h11H,3-7H2,1-2H3,(H,14,15)
InChIKeySLIMVHCFRYQMEC-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818
1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
CID 113354340
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
CID 63123464
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid (CID 63123860) is 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid is CNCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is SLIMVHCFRYQMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(9(14)15)3-5-12(6-4-10)8(13)7-11-2/h11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid?
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63123860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).