(2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid

C10H19N3O5 — CID 6451930

IUPAC(2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESNCCC[C@H](N)C(=O)O.O=C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C5H12N2O2.C5H7NO3/c6-3-1-2-4(7)5(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,6-7H2,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1
InChIKeyTYQDOIOMUGXJOC-WOYAITHZSA-N
MW261.28 g/mol
LogP-1.51
Rot. Bonds5

About (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid

(2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 6451930) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID6451930
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESNCCC[C@H](N)C(=O)O.O=C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C5H12N2O2.C5H7NO3/c6-3-1-2-4(7)5(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,6-7H2,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1
InChIKeyTYQDOIOMUGXJOC-WOYAITHZSA-N
XLogP-1.51
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid (CID 6451930) is (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid is NCCC[C@H](N)C(=O)O.O=C1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is TYQDOIOMUGXJOC-WOYAITHZSA-N. The full InChI is InChI=1S/C5H12N2O2.C5H7NO3/c6-3-1-2-4(7)5(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,6-7H2,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1.
What are the key properties of (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
(2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of -1.51, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6451930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).