1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid

C13H22N2O3 — CID 104598716

IUPAC1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C(=O)NC1CC1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9(11(16)14-10-5-6-10)15-8-4-3-7-13(15,2)12(17)18/h9-10H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNKVYTXVYJAKGMD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds4

About 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid

1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598716) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598716
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C(=O)NC1CC1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9(11(16)14-10-5-6-10)15-8-4-3-7-13(15,2)12(17)18/h9-10H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNKVYTXVYJAKGMD-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 113431131
2-methyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 104598665
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
CID 104599300
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
1-(1-cyclopropyl-2-methoxyethyl)-2-methylpiperidine-2-carboxylic acid
CID 104599075
N-cyclopropyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305216
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 55165973
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
1-[1-(1-adamantyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071214
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid (CID 104598716) is 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid is CC(C(=O)NC1CC1)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is NKVYTXVYJAKGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(11(16)14-10-5-6-10)15-8-4-3-7-13(15,2)12(17)18/h9-10H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).