(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid

C11H24N2O4 — CID 158530553

IUPAC(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
SMILESCCCC[C@H](N)C(=O)O.CCC[C@@H](N)C(=O)O
InChIInChI=1S/C6H13NO2.C5H11NO2/c1-2-3-4-5(7)6(8)9;1-2-3-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m01/s1
InChIKeyHNHRMSHGQAJCON-GTYZUFBLSA-N
MW248.32 g/mol
LogP0.79
Rot. Bonds7

About (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid

(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid (PubChem CID 158530553) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
PubChem CID158530553
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
SMILESCCCC[C@H](N)C(=O)O.CCC[C@@H](N)C(=O)O
InChIInChI=1S/C6H13NO2.C5H11NO2/c1-2-3-4-5(7)6(8)9;1-2-3-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m01/s1
InChIKeyHNHRMSHGQAJCON-GTYZUFBLSA-N
XLogP0.79
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-aminopentanoic acid;pentanoic acid
CID 158644900
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
2-aminohexadecanoic acid;azane
CID 175267671
2-aminohexanoic acid;2-aminopentanoic acid;2-(butylamino)acetic acid
CID 174666558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid?
The IUPAC name of (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid (CID 158530553) is (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid.
What is the SMILES notation for (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid?
The canonical SMILES for (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid is CCCC[C@H](N)C(=O)O.CCC[C@@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid?
The InChIKey is HNHRMSHGQAJCON-GTYZUFBLSA-N. The full InChI is InChI=1S/C6H13NO2.C5H11NO2/c1-2-3-4-5(7)6(8)9;1-2-3-4(6)5(7)8/h5H,2-4,7H2,1H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)/t5-;4-/m01/s1.
What are the key properties of (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid?
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid has a molecular weight of 248.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid is sourced from PubChem (CID 158530553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).