(2S)-2-aminododecanoic acid

C12H25NO2 — CID 10560640

IUPAC(2S)-2-aminododecanoic acid
SMILESCCCCCCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyQUBNFZFTFXTLKH-NSHDSACASA-N
MW215.34 g/mol
LogP2.93
Rot. Bonds10

About (2S)-2-aminododecanoic acid

(2S)-2-aminododecanoic acid (PubChem CID 10560640) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-aminododecanoic acid.

Molecular Properties

Compound Name(2S)-2-aminododecanoic acid
PubChem CID10560640
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-2-aminododecanoic acid
SMILESCCCCCCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyQUBNFZFTFXTLKH-NSHDSACASA-N
XLogP2.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-aminododecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminododecanoic acid?
The IUPAC name of (2S)-2-aminododecanoic acid (CID 10560640) is (2S)-2-aminododecanoic acid.
What is the SMILES notation for (2S)-2-aminododecanoic acid?
The canonical SMILES for (2S)-2-aminododecanoic acid is CCCCCCCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminododecanoic acid?
The InChIKey is QUBNFZFTFXTLKH-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-aminododecanoic acid?
(2S)-2-aminododecanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminododecanoic acid is sourced from PubChem (CID 10560640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).