(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid

C8H17NO4 — CID 177277676

IUPAC(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
SMILESN[C@@H](CCCC[C@H](O)CO)C(=O)O
InChIInChI=1S/C8H17NO4/c9-7(8(12)13)4-2-1-3-6(11)5-10/h6-7,10-11H,1-5,9H2,(H,12,13)/t6-,7-/m0/s1
InChIKeyDNOXOWHDGNPJDN-BQBZGAKWSA-N
MW191.23 g/mol
LogP-0.69
Rot. Bonds7

About (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid

(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid (PubChem CID 177277676) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid.

Molecular Properties

Compound Name(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
PubChem CID177277676
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
SMILESN[C@@H](CCCC[C@H](O)CO)C(=O)O
InChIInChI=1S/C8H17NO4/c9-7(8(12)13)4-2-1-3-6(11)5-10/h6-7,10-11H,1-5,9H2,(H,12,13)/t6-,7-/m0/s1
InChIKeyDNOXOWHDGNPJDN-BQBZGAKWSA-N
XLogP-0.69
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2,6-diaminoheptanedioic acid
CID 865
(4S)-2-amino-4,5-dihydroxypentanoic acid
CID 58205958
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diaminohexanoic acid;2-hydroxyethyl(trimethyl)azanium;propane-1,2,3-triol;chloride
CID 175460413
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360

Frequently Asked Questions

What is the IUPAC name of (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid?
The IUPAC name of (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid (CID 177277676) is (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid.
What is the SMILES notation for (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid?
The canonical SMILES for (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid is N[C@@H](CCCC[C@H](O)CO)C(=O)O.
What is the InChIKey of (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid?
The InChIKey is DNOXOWHDGNPJDN-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO4/c9-7(8(12)13)4-2-1-3-6(11)5-10/h6-7,10-11H,1-5,9H2,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid?
(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S)-2-amino-7,8-dihydroxyoctanoic acid is sourced from PubChem (CID 177277676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).