(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid

C10H18N2O3 — CID 12919066

IUPAC(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(N)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8?/m0/s1
InChIKeyGIAZPLMMQOERPN-JAMMHHFISA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds3

About (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 12919066) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID12919066
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(N)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8?/m0/s1
InChIKeyGIAZPLMMQOERPN-JAMMHHFISA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
(2R)-1-[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129360484

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid (CID 12919066) is (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(N)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GIAZPLMMQOERPN-JAMMHHFISA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8?/m0/s1.
What are the key properties of (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12919066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).