(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 57050483

IUPAC(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-6-13(12(19)20)7-3-8-15(13)11(18)9(14)4-5-10(16)17/h9H,2-8,14H2,1H3,(H,16,17)(H,19,20)/t9-,13-/m0/s1
InChIKeyDGTNUTXSTOJDNL-ZANVPECISA-N
MW286.33 g/mol
LogP0.42
Rot. Bonds7

About (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 57050483) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID57050483
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-6-13(12(19)20)7-3-8-15(13)11(18)9(14)4-5-10(16)17/h9H,2-8,14H2,1H3,(H,16,17)(H,19,20)/t9-,13-/m0/s1
InChIKeyDGTNUTXSTOJDNL-ZANVPECISA-N
XLogP0.42
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 57050483) is (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid is CCC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is DGTNUTXSTOJDNL-ZANVPECISA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-6-13(12(19)20)7-3-8-15(13)11(18)9(14)4-5-10(16)17/h9H,2-8,14H2,1H3,(H,16,17)(H,19,20)/t9-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-4-carboxybutanoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 57050483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).