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

C10H21NO3 — CID 10899716

IUPAC(2S,3R)-3-amino-2-hydroxydecanoic acid
SMILESCCCCCCC[C@@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyCZHBZYFMCYCASB-BDAKNGLRSA-N
MW203.28 g/mol
LogP1.12
Rot. Bonds8

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

(2S,3R)-3-amino-2-hydroxydecanoic acid (PubChem CID 10899716) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxydecanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxydecanoic acid
PubChem CID10899716
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S,3R)-3-amino-2-hydroxydecanoic acid
SMILESCCCCCCC[C@@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyCZHBZYFMCYCASB-BDAKNGLRSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxydecanoic acid?
The IUPAC name of (2S,3R)-3-amino-2-hydroxydecanoic acid (CID 10899716) is (2S,3R)-3-amino-2-hydroxydecanoic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxydecanoic acid?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxydecanoic acid is CCCCCCC[C@@H](N)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxydecanoic acid?
The InChIKey is CZHBZYFMCYCASB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxydecanoic acid?
(2S,3R)-3-amino-2-hydroxydecanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.12, 8 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-hydroxydecanoic acid is sourced from PubChem (CID 10899716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).