(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid

C13H24N2O3 — CID 66263390

IUPAC(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
SMILESCC(C)(N)C(C)(C)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,13(3,4)14)11(18)15-8-6-5-7-9(15)10(16)17/h9H,5-8,14H2,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyYLQXNKWOQSSMPW-VIFPVBQESA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds3

About (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid

(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid (PubChem CID 66263390) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
PubChem CID66263390
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
SMILESCC(C)(N)C(C)(C)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,13(3,4)14)11(18)15-8-6-5-7-9(15)10(16)17/h9H,5-8,14H2,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyYLQXNKWOQSSMPW-VIFPVBQESA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679
1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 82042127
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115426587
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564688
(2S)-1-[(2S)-2-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoyl]pyrrolidine-2-carboxylic acid
CID 22792316
1-[2-(4-aminophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 80554988
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid (CID 66263390) is (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid is CC(C)(N)C(C)(C)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid?
The InChIKey is YLQXNKWOQSSMPW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,13(3,4)14)11(18)15-8-6-5-7-9(15)10(16)17/h9H,5-8,14H2,1-4H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid?
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).