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

C10H17N3O5 — CID 5153860

IUPAC1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid
SMILESNC(CCC(=O)NN1CCCC1C(=O)O)C(=O)O
InChIInChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyKWWHDNLMGLRNRN-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.24
Rot. Bonds6

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

1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid (PubChem CID 5153860) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid
PubChem CID5153860
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid
SMILESNC(CCC(=O)NN1CCCC1C(=O)O)C(=O)O
InChIInChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyKWWHDNLMGLRNRN-UHFFFAOYSA-N
XLogP-1.24
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Linatine
CID 160920
gamma-Glutamylproline
CID 9856242
1-(4-Amino-4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
CID 13605542
Linatine, (S,S)-
CID 202334
l-Glutamine l-proline
CID 22872349
Aminopyroglutamic acid
CID 56614584
Glycinoproline
CID 67493726
Amino ethyl glutamine
CID 87997605
Acetoamidoproline
CID 129723223
Prolin O Alanin
CID 129889906
Einecs 224-290-5
CID 6451930
Einecs 307-414-3
CID 44151051

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid (CID 5153860) is 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid is NC(CCC(=O)NN1CCCC1C(=O)O)C(=O)O.
What is the InChIKey of 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid?
The InChIKey is KWWHDNLMGLRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid?
1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-4-carboxybutanoyl)amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).