(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 81118861

IUPAC(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9(15-13(20)14(2,3)4)11(17)16-7-5-6-10(8-16)12(18)19/h9-10H,5-8H2,1-4H3,(H,15,20)(H,18,19)/t9?,10-/m1/s1
InChIKeyMGZJGHFDBCJJCP-QVDQXJPCSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds3

About (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 81118861) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
PubChem CID81118861
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9(15-13(20)14(2,3)4)11(17)16-7-5-6-10(8-16)12(18)19/h9-10H,5-8H2,1-4H3,(H,15,20)(H,18,19)/t9?,10-/m1/s1
InChIKeyMGZJGHFDBCJJCP-QVDQXJPCSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
1-[2-(cyclopentanecarbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355100
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid (CID 81118861) is (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid is CC(NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is MGZJGHFDBCJJCP-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(15-13(20)14(2,3)4)11(17)16-7-5-6-10(8-16)12(18)19/h9-10H,5-8H2,1-4H3,(H,15,20)(H,18,19)/t9?,10-/m1/s1.
What are the key properties of (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).