2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid

C11H23NO2 — CID 61001424

IUPAC2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
SMILESCC(C)CNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)6-11(5,10(13)14)12-7-9(3)4/h8-9,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyPNYPQQGZFBBJTP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.12
Rot. Bonds6

About 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid

2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid (PubChem CID 61001424) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
PubChem CID61001424
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
SMILESCC(C)CNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)6-11(5,10(13)14)12-7-9(3)4/h8-9,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyPNYPQQGZFBBJTP-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
CID 68854962
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
CID 114994714

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid (CID 61001424) is 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid is CC(C)CNC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid?
The InChIKey is PNYPQQGZFBBJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-11(5,10(13)14)12-7-9(3)4/h8-9,12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid?
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid is sourced from PubChem (CID 61001424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).