2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid

C13H27NO2 — CID 65254940

IUPAC2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
SMILESCCC(CC)N(C)CCCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-6-11(7-2)14(5)10-8-9-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyZHKVAXAWVWGBPB-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.00
Rot. Bonds8

About 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid

2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid (PubChem CID 65254940) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
PubChem CID65254940
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
SMILESCCC(CC)N(C)CCCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-6-11(7-2)14(5)10-8-9-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyZHKVAXAWVWGBPB-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
CID 64819989
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol
CID 106809263
2,2-dimethyldocosanoic acid
CID 23471202
6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
CID 106713981
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid (CID 65254940) is 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid is CCC(CC)N(C)CCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid?
The InChIKey is ZHKVAXAWVWGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-11(7-2)14(5)10-8-9-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid?
2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 65254940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).