(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid

C11H22N2O6 — CID 87638695

IUPAC(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
SMILESCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H13NO2.C5H9NO4/c1-2-3-4-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h5H,2-4,7H2,1H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
InChIKeyDJSCAKYUKBBGIQ-RVZXSAGBSA-N
MW278.30 g/mol
LogP-0.15
Rot. Bonds8

About (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid

(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid (PubChem CID 87638695) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
PubChem CID87638695
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC Name(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
SMILESCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H13NO2.C5H9NO4/c1-2-3-4-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h5H,2-4,7H2,1H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
InChIKeyDJSCAKYUKBBGIQ-RVZXSAGBSA-N
XLogP-0.15
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminopentanedioic acid;dodecanoic acid
CID 175003829
2-aminopentanoic acid;pentanoic acid
CID 158644900
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-aminopentanedioic acid;butanedioic acid;butanoic acid
CID 158042899
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid?
The IUPAC name of (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid (CID 87638695) is (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid.
What is the SMILES notation for (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid?
The canonical SMILES for (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid is CCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid?
The InChIKey is DJSCAKYUKBBGIQ-RVZXSAGBSA-N. The full InChI is InChI=1S/C6H13NO2.C5H9NO4/c1-2-3-4-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8/h5H,2-4,7H2,1H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1.
What are the key properties of (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid?
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid has a molecular weight of 278.30 g/mol, XLogP of -0.15, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid is sourced from PubChem (CID 87638695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).