6-amino-2-hydroxyhexanoic acid

C6H13NO3 — CID 517029

IUPAC6-amino-2-hydroxyhexanoic acid
SMILESNCCCCC(O)C(=O)O
InChIInChI=1S/C6H13NO3/c7-4-2-1-3-5(8)6(9)10/h5,8H,1-4,7H2,(H,9,10)
InChIKeyCEWDTFLISAWJHG-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.44
Rot. Bonds5

About 6-amino-2-hydroxyhexanoic acid

6-amino-2-hydroxyhexanoic acid (PubChem CID 517029) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 6-amino-2-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-amino-2-hydroxyhexanoic acid
PubChem CID517029
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name6-amino-2-hydroxyhexanoic acid
SMILESNCCCCC(O)C(=O)O
InChIInChI=1S/C6H13NO3/c7-4-2-1-3-5(8)6(9)10/h5,8H,1-4,7H2,(H,9,10)
InChIKeyCEWDTFLISAWJHG-UHFFFAOYSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,10-dihydroxydecanoic acid
CID 23158566
2-hydroxyheptanedioic acid
CID 160889869
2,6,6-trihydroxyhexanoic acid
CID 141129041
2,6-diaminohexanoic acid;titanium
CID 174642581
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
2-hydroxytridecanoic acid
CID 5282901
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
2-hydroxynonanedioic acid
CID 12760708

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-hydroxyhexanoic acid?
The IUPAC name of 6-amino-2-hydroxyhexanoic acid (CID 517029) is 6-amino-2-hydroxyhexanoic acid.
What is the SMILES notation for 6-amino-2-hydroxyhexanoic acid?
The canonical SMILES for 6-amino-2-hydroxyhexanoic acid is NCCCCC(O)C(=O)O.
What is the InChIKey of 6-amino-2-hydroxyhexanoic acid?
The InChIKey is CEWDTFLISAWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c7-4-2-1-3-5(8)6(9)10/h5,8H,1-4,7H2,(H,9,10).
What are the key properties of 6-amino-2-hydroxyhexanoic acid?
6-amino-2-hydroxyhexanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-hydroxyhexanoic acid is sourced from PubChem (CID 517029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).