(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid

C17H35NO2 — CID 154125332

IUPAC(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
SMILESCCCCCCCCCCCN(C)[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-18(4)16(15(2)3)17(19)20/h15-16H,5-14H2,1-4H3,(H,19,20)/t16-/m1/s1
InChIKeyLHSDGSQGOZNHAT-MRXNPFEDSA-N
MW285.47 g/mol
LogP4.56
Rot. Bonds13

About (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid

(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid (PubChem CID 154125332) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
PubChem CID154125332
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
SMILESCCCCCCCCCCCN(C)[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-18(4)16(15(2)3)17(19)20/h15-16H,5-14H2,1-4H3,(H,19,20)/t16-/m1/s1
InChIKeyLHSDGSQGOZNHAT-MRXNPFEDSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
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(methyl)amino]-3-methylbutanamide
CID 82040476
2-[butyl(methyl)amino]-3-methylbutanoyl chloride
CID 82040614
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
2-[di(undecyl)amino]propanoic acid
CID 101313686
(2S)-2-(didecylamino)propanoic acid
CID 54553800
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
2-[dodecyl(methyl)amino]propanoic acid;2-hydroxybutanedioic acid
CID 174596527
1-[methyl(octadecyl)amino]ethyl hexadecanoate
CID 19781253
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid (CID 154125332) is (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid is CCCCCCCCCCCN(C)[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid?
The InChIKey is LHSDGSQGOZNHAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-18(4)16(15(2)3)17(19)20/h15-16H,5-14H2,1-4H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid?
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.56, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid is sourced from PubChem (CID 154125332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).