(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C15H24N4O6 — CID 175746216

IUPAC(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H24N4O6/c16-9(3-4-12(17)21)13(22)19-7-8(20)6-11(19)14(23)18-5-1-2-10(18)15(24)25/h8-11,20H,1-7,16H2,(H2,17,21)(H,24,25)/t8-,9+,10+,11+/m1/s1
InChIKeyFJVKDJZTJDREBS-RCWTZXSCSA-N
MW356.38 g/mol
LogP-2.38
Rot. Bonds6

About (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 175746216) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID175746216
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Name(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H24N4O6/c16-9(3-4-12(17)21)13(22)19-7-8(20)6-11(19)14(23)18-5-1-2-10(18)15(24)25/h8-11,20H,1-7,16H2,(H2,17,21)(H,24,25)/t8-,9+,10+,11+/m1/s1
InChIKeyFJVKDJZTJDREBS-RCWTZXSCSA-N
XLogP-2.38
TPSA167.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18220790
(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 11736661
1-[1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 139211128
(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 11218768
(2S,4R)-1-(2-amino-4-carboxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64890910
(2S,4R)-1-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 175819948
1-(2-amino-4-carboxybutanoyl)azepane-2-carboxylic acid
CID 64889557
(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
2-[[1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 18482643
(2S)-1-[(2S)-1-[(2S)-5-amino-2-(ethylsulfonylamino)-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 70427503
(2R)-2,5-diamino-5-oxopentanoic acid;(2S)-1-hydroxypyrrolidine-2-carboxylic acid
CID 67068650

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 175746216) is (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is NC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FJVKDJZTJDREBS-RCWTZXSCSA-N. The full InChI is InChI=1S/C15H24N4O6/c16-9(3-4-12(17)21)13(22)19-7-8(20)6-11(19)14(23)18-5-1-2-10(18)15(24)25/h8-11,20H,1-7,16H2,(H2,17,21)(H,24,25)/t8-,9+,10+,11+/m1/s1.
What are the key properties of (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of -2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175746216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).