1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid

C12H22N2O3 — CID 61157543

IUPAC1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)[C@H](N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(13)10(15)14-6-4-5-8(7-14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)/t8?,9-/m1/s1
InChIKeyAEDFTBQBSHCJNR-YGPZHTELSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds2

About 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid

1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid (PubChem CID 61157543) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
PubChem CID61157543
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)[C@H](N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(13)10(15)14-6-4-5-8(7-14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)/t8?,9-/m1/s1
InChIKeyAEDFTBQBSHCJNR-YGPZHTELSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-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

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-3-carboxylic acid
CID 65269823
(2S)-2-amino-1-[3-(dimethylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119874499
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 104907990
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid (CID 61157543) is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid is CC(C)(C)[C@H](N)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid?
The InChIKey is AEDFTBQBSHCJNR-YGPZHTELSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)9(13)10(15)14-6-4-5-8(7-14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)/t8?,9-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid?
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61157543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).