1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid

C10H18N2O3 — CID 106742949

IUPAC1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC(N)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C10H18N2O3/c1-6-5-8(10(14)15)3-4-12(6)9(13)7(2)11/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyCMKZENRLXCYLGV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds2

About 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid

1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742949) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742949
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC(N)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C10H18N2O3/c1-6-5-8(10(14)15)3-4-12(6)9(13)7(2)11/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyCMKZENRLXCYLGV-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741731
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
(2R)-2-amino-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)piperidin-1-yl]propan-1-one
CID 178126862
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744558
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744155
1-(2-cyclopropylpropylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744532
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid (CID 106742949) is 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid is CC(N)C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is CMKZENRLXCYLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-5-8(10(14)15)3-4-12(6)9(13)7(2)11/h6-8H,3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).