2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid

C14H26N2O3 — CID 106743021

IUPAC2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
SMILESCC(C)NCCCC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H26N2O3/c1-10(2)15-7-4-5-13(17)16-8-6-12(14(18)19)9-11(16)3/h10-12,15H,4-9H2,1-3H3,(H,18,19)
InChIKeyKYTSLDSDOUNHJM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds6

About 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid

2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid (PubChem CID 106743021) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
PubChem CID106743021
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
SMILESCC(C)NCCCC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H26N2O3/c1-10(2)15-7-4-5-13(17)16-8-6-12(14(18)19)9-11(16)3/h10-12,15H,4-9H2,1-3H3,(H,18,19)
InChIKeyKYTSLDSDOUNHJM-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-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-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742115
2-methyl-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 106742221
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744370
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 61409599
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106741697
1-(2-cyclohexylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60946958
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 115734691
2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid (CID 106743021) is 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid is CC(C)NCCCC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is KYTSLDSDOUNHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)15-7-4-5-13(17)16-8-6-12(14(18)19)9-11(16)3/h10-12,15H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid?
2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106743021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).