3-amino-9-methoxy-5,9-dimethyldecanoic acid

C13H27NO3 — CID 170872504

IUPAC3-amino-9-methoxy-5,9-dimethyldecanoic acid
SMILESCOC(C)(C)CCCC(C)CC(N)CC(=O)O
InChIInChI=1S/C13H27NO3/c1-10(8-11(14)9-12(15)16)6-5-7-13(2,3)17-4/h10-11H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyNMHJFFSRKQAAQD-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.41
Rot. Bonds9

About 3-amino-9-methoxy-5,9-dimethyldecanoic acid

3-amino-9-methoxy-5,9-dimethyldecanoic acid (PubChem CID 170872504) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 3-amino-9-methoxy-5,9-dimethyldecanoic acid.

Molecular Properties

Compound Name3-amino-9-methoxy-5,9-dimethyldecanoic acid
PubChem CID170872504
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name3-amino-9-methoxy-5,9-dimethyldecanoic acid
SMILESCOC(C)(C)CCCC(C)CC(N)CC(=O)O
InChIInChI=1S/C13H27NO3/c1-10(8-11(14)9-12(15)16)6-5-7-13(2,3)17-4/h10-11H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyNMHJFFSRKQAAQD-UHFFFAOYSA-N
XLogP2.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
CID 57408903
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
ethyl 5-hydroxy-11-methoxy-7,11-dimethyl-3-oxododecanoate
CID 13390964
7-methoxy-3,7-dimethyloctan-1-amine
CID 102547373
(3S,5R)-3-amino-7-anilino-5-methylheptanoic acid
CID 68857725
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
CID 170880719
tert-butyl (3S,5R)-3-amino-5-methylnonanoate
CID 86594296

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-methoxy-5,9-dimethyldecanoic acid?
The IUPAC name of 3-amino-9-methoxy-5,9-dimethyldecanoic acid (CID 170872504) is 3-amino-9-methoxy-5,9-dimethyldecanoic acid.
What is the SMILES notation for 3-amino-9-methoxy-5,9-dimethyldecanoic acid?
The canonical SMILES for 3-amino-9-methoxy-5,9-dimethyldecanoic acid is COC(C)(C)CCCC(C)CC(N)CC(=O)O.
What is the InChIKey of 3-amino-9-methoxy-5,9-dimethyldecanoic acid?
The InChIKey is NMHJFFSRKQAAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-10(8-11(14)9-12(15)16)6-5-7-13(2,3)17-4/h10-11H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-9-methoxy-5,9-dimethyldecanoic acid?
3-amino-9-methoxy-5,9-dimethyldecanoic acid has a molecular weight of 245.36 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-methoxy-5,9-dimethyldecanoic acid is sourced from PubChem (CID 170872504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).