(2S,3R)-3-amino-2-hydroxynonanoic acid

C9H19NO3 — CID 87495768

IUPAC(2S,3R)-3-amino-2-hydroxynonanoic acid
SMILESCCCCCC[C@@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyACSQLWDMELFTIF-SFYZADRCSA-N
MW189.25 g/mol
LogP0.73
Rot. Bonds7

About (2S,3R)-3-amino-2-hydroxynonanoic acid

(2S,3R)-3-amino-2-hydroxynonanoic acid (PubChem CID 87495768) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxynonanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxynonanoic acid
PubChem CID87495768
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S,3R)-3-amino-2-hydroxynonanoic acid
SMILESCCCCCC[C@@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyACSQLWDMELFTIF-SFYZADRCSA-N
XLogP0.73
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.73
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,3R)-3-amino-2-hydroxyoctanoic acid
CID 10749769
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2-carbamoylhexadecanoic acid
CID 172818471
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
trilithium;2-octylpropanedioic acid;borate
CID 175907806
(2S)-2-aminododecanoic acid
CID 10560640
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxynonanoic acid?
The IUPAC name of (2S,3R)-3-amino-2-hydroxynonanoic acid (CID 87495768) is (2S,3R)-3-amino-2-hydroxynonanoic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxynonanoic acid?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxynonanoic acid is CCCCCC[C@@H](N)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxynonanoic acid?
The InChIKey is ACSQLWDMELFTIF-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-4-5-6-7(10)8(11)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxynonanoic acid?
(2S,3R)-3-amino-2-hydroxynonanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxynonanoic acid is sourced from PubChem (CID 87495768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).