3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid

C15H29NO3 — CID 62964548

IUPAC3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
SMILESCC(C)CCCCCCNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C15H29NO3/c1-12(2)8-6-4-5-7-9-16-14(17)10-13(3)11-15(18)19/h12-13H,4-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJOIMUMMWZFKEGM-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.21
Rot. Bonds11

About 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid

3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid (PubChem CID 62964548) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
PubChem CID62964548
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
SMILESCC(C)CCCCCCNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C15H29NO3/c1-12(2)8-6-4-5-7-9-16-14(17)10-13(3)11-15(18)19/h12-13H,4-11H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJOIMUMMWZFKEGM-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.21
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

5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
2-[2-(7-methyloctylamino)-2-oxoethyl]sulfanylacetic acid
CID 112683221
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
5-[[(2S)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 10698964
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide
CID 156547005
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid (CID 62964548) is 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid is CC(C)CCCCCCNC(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid?
The InChIKey is JOIMUMMWZFKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(2)8-6-4-5-7-9-16-14(17)10-13(3)11-15(18)19/h12-13H,4-11H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid?
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.21, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62964548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).