(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid

C12H27N3O5 — CID 170901472

IUPAC(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
SMILESCCCC[C@H](N)C(=O)O.NC[C@@H](O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O3.C6H13NO2/c7-3-4(9)1-2-5(8)6(10)11;1-2-3-4-5(7)6(8)9/h4-5,9H,1-3,7-8H2,(H,10,11);5H,2-4,7H2,1H3,(H,8,9)/t4-,5-;5-/m00/s1
InChIKeyRGBSWKXDTCIOCE-GNZHBOOYSA-N
MW293.36 g/mol
LogP-0.91
Rot. Bonds9

About (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid

(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid (PubChem CID 170901472) has the molecular formula C12H27N3O5 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
PubChem CID170901472
Molecular FormulaC12H27N3O5
Molecular Weight293.36 g/mol
Exact Mass293.20
IUPAC Name(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
SMILESCCCC[C@H](N)C(=O)O.NC[C@@H](O)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O3.C6H13NO2/c7-3-4(9)1-2-5(8)6(10)11;1-2-3-4-5(7)6(8)9/h4-5,9H,1-3,7-8H2,(H,10,11);5H,2-4,7H2,1H3,(H,8,9)/t4-,5-;5-/m00/s1
InChIKeyRGBSWKXDTCIOCE-GNZHBOOYSA-N
XLogP-0.91
TPSA172.89 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
CID 57084949
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
2-aminohexadecanoic acid;azane
CID 175267671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid?
The IUPAC name of (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid (CID 170901472) is (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid.
What is the SMILES notation for (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid?
The canonical SMILES for (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid is CCCC[C@H](N)C(=O)O.NC[C@@H](O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid?
The InChIKey is RGBSWKXDTCIOCE-GNZHBOOYSA-N. The full InChI is InChI=1S/C6H14N2O3.C6H13NO2/c7-3-4(9)1-2-5(8)6(10)11;1-2-3-4-5(7)6(8)9/h4-5,9H,1-3,7-8H2,(H,10,11);5H,2-4,7H2,1H3,(H,8,9)/t4-,5-;5-/m00/s1.
What are the key properties of (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid?
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid has a molecular weight of 293.36 g/mol, XLogP of -0.91, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid is sourced from PubChem (CID 170901472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).