(2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

C11H23N3O5 — CID 68577118

IUPAC(2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C6H14N2O2.C5H9NO3/c7-4-2-1-3-5(8)6(9)10;7-3-1-4(5(8)9)6-2-3/h5H,1-4,7-8H2,(H,9,10);3-4,6-7H,1-2H2,(H,8,9)/t5-;3-,4+/m01/s1
InChIKeyRXIFBLPYNBRIHH-YZBSWTLRSA-N
MW277.32 g/mol
LogP-1.68
Rot. Bonds6

About (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 68577118) has the molecular formula C11H23N3O5 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID68577118
Molecular FormulaC11H23N3O5
Molecular Weight277.32 g/mol
Exact Mass277.16
IUPAC Name(2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C6H14N2O2.C5H9NO3/c7-4-2-1-3-5(8)6(9)10;7-3-1-4(5(8)9)6-2-3/h5H,1-4,7-8H2,(H,9,10);3-4,6-7H,1-2H2,(H,8,9)/t5-;3-,4+/m01/s1
InChIKeyRXIFBLPYNBRIHH-YZBSWTLRSA-N
XLogP-1.68
TPSA158.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid (CID 68577118) is (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RXIFBLPYNBRIHH-YZBSWTLRSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H9NO3/c7-4-2-1-3-5(8)6(9)10;7-3-1-4(5(8)9)6-2-3/h5H,1-4,7-8H2,(H,9,10);3-4,6-7H,1-2H2,(H,8,9)/t5-;3-,4+/m01/s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of -1.68, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68577118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).