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

C14H26N2O3 — CID 169193302

IUPAC1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)[C@@H](N)C(C)(C)C)C1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-8(2)9-6-7-16(10(9)13(18)19)12(17)11(15)14(3,4)5/h8-11H,6-7,15H2,1-5H3,(H,18,19)/t9?,10?,11-/m1/s1
InChIKeyLKOORUJPBZTERZ-VQXHTEKXSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds3

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

1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 169193302) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID169193302
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)[C@@H](N)C(C)(C)C)C1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-8(2)9-6-7-16(10(9)13(18)19)12(17)11(15)14(3,4)5/h8-11H,6-7,15H2,1-5H3,(H,18,19)/t9?,10?,11-/m1/s1
InChIKeyLKOORUJPBZTERZ-VQXHTEKXSA-N
XLogP1.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid (CID 169193302) is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)C1CCN(C(=O)[C@@H](N)C(C)(C)C)C1C(=O)O.
What is the InChIKey of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is LKOORUJPBZTERZ-VQXHTEKXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-8(2)9-6-7-16(10(9)13(18)19)12(17)11(15)14(3,4)5/h8-11H,6-7,15H2,1-5H3,(H,18,19)/t9?,10?,11-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid?
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.32, 3 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]-3-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 169193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).