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

C12H23NO3 — CID 43209722

IUPAC4-methyl-2-(2-methylpentanoylamino)pentanoic acid
SMILESCCCC(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-5-6-9(4)11(14)13-10(12(15)16)7-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyXSYZJTWELDHYMS-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.04
Rot. Bonds7

About 4-methyl-2-(2-methylpentanoylamino)pentanoic acid

4-methyl-2-(2-methylpentanoylamino)pentanoic acid (PubChem CID 43209722) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpentanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpentanoylamino)pentanoic acid
PubChem CID43209722
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-methyl-2-(2-methylpentanoylamino)pentanoic acid
SMILESCCCC(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-5-6-9(4)11(14)13-10(12(15)16)7-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyXSYZJTWELDHYMS-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopentanoylamino)-4-methylpentanoic acid
CID 5095064
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
CID 78975573
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119188349
(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119363291
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpentanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylpentanoylamino)pentanoic acid (CID 43209722) is 4-methyl-2-(2-methylpentanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpentanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylpentanoylamino)pentanoic acid is CCCC(C)C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpentanoylamino)pentanoic acid?
The InChIKey is XSYZJTWELDHYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-6-9(4)11(14)13-10(12(15)16)7-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-(2-methylpentanoylamino)pentanoic acid?
4-methyl-2-(2-methylpentanoylamino)pentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpentanoylamino)pentanoic acid is sourced from PubChem (CID 43209722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).