(4R)-3-imino-4-methyltridecanoic acid

C14H27NO2 — CID 89035757

IUPAC(4R)-3-imino-4-methyltridecanoic acid
SMILES[H]/N=C(\CC(=O)O)[C@H](C)CCCCCCCCC
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-12(2)13(15)11-14(16)17/h12,15H,3-11H2,1-2H3,(H,16,17)/b15-13+/t12-/m1/s1
InChIKeyHDCJQDDIOFJDCI-ODHUPUGDSA-N
MW241.37 g/mol
LogP4.26
Rot. Bonds11

About (4R)-3-imino-4-methyltridecanoic acid

(4R)-3-imino-4-methyltridecanoic acid (PubChem CID 89035757) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (4R)-3-imino-4-methyltridecanoic acid.

Molecular Properties

Compound Name(4R)-3-imino-4-methyltridecanoic acid
PubChem CID89035757
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(4R)-3-imino-4-methyltridecanoic acid
SMILES[H]/N=C(\CC(=O)O)[C@H](C)CCCCCCCCC
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-12(2)13(15)11-14(16)17/h12,15H,3-11H2,1-2H3,(H,16,17)/b15-13+/t12-/m1/s1
InChIKeyHDCJQDDIOFJDCI-ODHUPUGDSA-N
XLogP4.26
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-imino-4-methyltridecanoic acid?
The IUPAC name of (4R)-3-imino-4-methyltridecanoic acid (CID 89035757) is (4R)-3-imino-4-methyltridecanoic acid.
What is the SMILES notation for (4R)-3-imino-4-methyltridecanoic acid?
The canonical SMILES for (4R)-3-imino-4-methyltridecanoic acid is [H]/N=C(\CC(=O)O)[C@H](C)CCCCCCCCC.
What is the InChIKey of (4R)-3-imino-4-methyltridecanoic acid?
The InChIKey is HDCJQDDIOFJDCI-ODHUPUGDSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-12(2)13(15)11-14(16)17/h12,15H,3-11H2,1-2H3,(H,16,17)/b15-13+/t12-/m1/s1.
What are the key properties of (4R)-3-imino-4-methyltridecanoic acid?
(4R)-3-imino-4-methyltridecanoic acid has a molecular weight of 241.37 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-imino-4-methyltridecanoic acid is sourced from PubChem (CID 89035757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).