(2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid

C11H21N3O5 — CID 23534249

IUPAC(2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESNCCCC[C@H](N)C(=O)O.O=C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t5-;3-/m00/s1
InChIKeyGSTSUZHIVMCRLR-RVZXSAGBSA-N
MW275.31 g/mol
LogP-1.12
Rot. Bonds6

About (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid

(2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 23534249) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID23534249
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESNCCCC[C@H](N)C(=O)O.O=C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t5-;3-/m00/s1
InChIKeyGSTSUZHIVMCRLR-RVZXSAGBSA-N
XLogP-1.12
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid (CID 23534249) is (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid is NCCCC[C@H](N)C(=O)O.O=C1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GSTSUZHIVMCRLR-RVZXSAGBSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t5-;3-/m00/s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
(2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of -1.12, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23534249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).