(2R,4S)-2-amino-2,4-dimethyldecanoic acid

C12H25NO2 — CID 151104039

IUPAC(2R,4S)-2-amino-2,4-dimethyldecanoic acid
SMILESCCCCCC[C@H](C)C[C@@](C)(N)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-10(2)9-12(3,13)11(14)15/h10H,4-9,13H2,1-3H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyMOSITQMWDGKPCD-CMPLNLGQSA-N
MW215.34 g/mol
LogP2.79
Rot. Bonds8

About (2R,4S)-2-amino-2,4-dimethyldecanoic acid

(2R,4S)-2-amino-2,4-dimethyldecanoic acid (PubChem CID 151104039) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R,4S)-2-amino-2,4-dimethyldecanoic acid.

Molecular Properties

Compound Name(2R,4S)-2-amino-2,4-dimethyldecanoic acid
PubChem CID151104039
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2R,4S)-2-amino-2,4-dimethyldecanoic acid
SMILESCCCCCC[C@H](C)C[C@@](C)(N)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-10(2)9-12(3,13)11(14)15/h10H,4-9,13H2,1-3H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyMOSITQMWDGKPCD-CMPLNLGQSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-(2-methyloctyl)tetradecanoic acid
CID 170305090
2-butyl-2-ethyl-4-methyldecanoic acid
CID 170305038
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
2-hexadecyl-8-methylicosanoic acid
CID 87355804
acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium
CID 91027514
(Z)-2-dodecyl-2,4-dimethyloctadec-9-enoic acid
CID 174431545
2,3-dimethyldecan-2-amine;propanoic acid
CID 173175223
(3S)-3-methylhexadecanoic acid
CID 54227409
3-methylnonadecanoic acid
CID 13392624
(2R,3S)-2-amino-3-hydroxy-2-methyloctanoic acid
CID 44817672

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-amino-2,4-dimethyldecanoic acid?
The IUPAC name of (2R,4S)-2-amino-2,4-dimethyldecanoic acid (CID 151104039) is (2R,4S)-2-amino-2,4-dimethyldecanoic acid.
What is the SMILES notation for (2R,4S)-2-amino-2,4-dimethyldecanoic acid?
The canonical SMILES for (2R,4S)-2-amino-2,4-dimethyldecanoic acid is CCCCCC[C@H](C)C[C@@](C)(N)C(=O)O.
What is the InChIKey of (2R,4S)-2-amino-2,4-dimethyldecanoic acid?
The InChIKey is MOSITQMWDGKPCD-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-6-7-8-10(2)9-12(3,13)11(14)15/h10H,4-9,13H2,1-3H3,(H,14,15)/t10-,12+/m0/s1.
What are the key properties of (2R,4S)-2-amino-2,4-dimethyldecanoic acid?
(2R,4S)-2-amino-2,4-dimethyldecanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-amino-2,4-dimethyldecanoic acid is sourced from PubChem (CID 151104039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).