1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C15H24N4O5 — CID 18220790

IUPAC1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)CCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H24N4O5/c16-9(5-6-12(17)20)13(21)18-7-1-3-10(18)14(22)19-8-2-4-11(19)15(23)24/h9-11H,1-8,16H2,(H2,17,20)(H,23,24)
InChIKeyWLRYGVYQFXRJDA-UHFFFAOYSA-N
MW340.38 g/mol
LogP-1.35
Rot. Bonds6

About 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 18220790) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID18220790
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)CCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H24N4O5/c16-9(5-6-12(17)20)13(21)18-7-1-3-10(18)14(22)19-8-2-4-11(19)15(23)24/h9-11H,1-8,16H2,(H2,17,20)(H,23,24)
InChIKeyWLRYGVYQFXRJDA-UHFFFAOYSA-N
XLogP-1.35
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 11736661
(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175746216
(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 11218768
1-(2-amino-4-carboxybutanoyl)azepane-2-carboxylic acid
CID 64889557
(2S)-1-[(2S)-1-[(2S)-5-amino-2-(ethylsulfonylamino)-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 70427503
2-[[1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 18482643
(2R)-1-[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 145455026
(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 70548468
(2R)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid
CID 67280679
(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 3037777
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175760688
1-[5-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 18478499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 18220790) is 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is NC(=O)CCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WLRYGVYQFXRJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c16-9(5-6-12(17)20)13(21)18-7-1-3-10(18)14(22)19-8-2-4-11(19)15(23)24/h9-11H,1-8,16H2,(H2,17,20)(H,23,24).
What are the key properties of 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of -1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18220790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).