2-methyl-2-(2-methylpentanoylamino)pentanoic acid

C12H23NO3 — CID 43619107

IUPAC2-methyl-2-(2-methylpentanoylamino)pentanoic acid
SMILESCCCC(C)C(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C12H23NO3/c1-5-7-9(3)10(14)13-12(4,8-6-2)11(15)16/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyORPRYAYUZUYIBC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.18
Rot. Bonds7

About 2-methyl-2-(2-methylpentanoylamino)pentanoic acid

2-methyl-2-(2-methylpentanoylamino)pentanoic acid (PubChem CID 43619107) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpentanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylpentanoylamino)pentanoic acid
PubChem CID43619107
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-2-(2-methylpentanoylamino)pentanoic acid
SMILESCCCC(C)C(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C12H23NO3/c1-5-7-9(3)10(14)13-12(4,8-6-2)11(15)16/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyORPRYAYUZUYIBC-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(2-methylpentanoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
CID 103309128
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
2-(2-butylsulfanylpropanoylamino)-2-methylpentanoic acid
CID 119192027
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
CID 61162004
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
2-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43619101
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpentanoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(2-methylpentanoylamino)pentanoic acid (CID 43619107) is 2-methyl-2-(2-methylpentanoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylpentanoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylpentanoylamino)pentanoic acid is CCCC(C)C(=O)NC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylpentanoylamino)pentanoic acid?
The InChIKey is ORPRYAYUZUYIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-7-9(3)10(14)13-12(4,8-6-2)11(15)16/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-(2-methylpentanoylamino)pentanoic acid?
2-methyl-2-(2-methylpentanoylamino)pentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpentanoylamino)pentanoic acid is sourced from PubChem (CID 43619107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).