dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate

C19H35NO5 — CID 139590718

IUPACdimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate
SMILESCCC(C)CCCCCCCCC(=O)N[C@H](CC(=O)OC)C(=O)OC
InChIInChI=1S/C19H35NO5/c1-5-15(2)12-10-8-6-7-9-11-13-17(21)20-16(19(23)25-4)14-18(22)24-3/h15-16H,5-14H2,1-4H3,(H,20,21)/t15?,16-/m1/s1
InChIKeyXSWVXEKKEXEEKJ-OEMAIJDKSA-N
MW357.49 g/mol
LogP3.37
Rot. Bonds14

About dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate

dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate (PubChem CID 139590718) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate
PubChem CID139590718
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Namedimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate
SMILESCCC(C)CCCCCCCCC(=O)N[C@H](CC(=O)OC)C(=O)OC
InChIInChI=1S/C19H35NO5/c1-5-15(2)12-10-8-6-7-9-11-13-17(21)20-16(19(23)25-4)14-18(22)24-3/h15-16H,5-14H2,1-4H3,(H,20,21)/t15?,16-/m1/s1
InChIKeyXSWVXEKKEXEEKJ-OEMAIJDKSA-N
XLogP3.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate?
The IUPAC name of dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate (CID 139590718) is dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate.
What is the SMILES notation for dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate?
The canonical SMILES for dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate is CCC(C)CCCCCCCCC(=O)N[C@H](CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate?
The InChIKey is XSWVXEKKEXEEKJ-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H35NO5/c1-5-15(2)12-10-8-6-7-9-11-13-17(21)20-16(19(23)25-4)14-18(22)24-3/h15-16H,5-14H2,1-4H3,(H,20,21)/t15?,16-/m1/s1.
What are the key properties of dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate?
dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate has a molecular weight of 357.49 g/mol, XLogP of 3.37, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate is sourced from PubChem (CID 139590718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).