4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid

C15H29NO3 — CID 120688025

IUPAC4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)C(C)(C)CC(C)C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-10(2)7-12(13(17)18)9-16-14(19)15(5,6)8-11(3)4/h10-12H,7-9H2,1-6H3,(H,16,19)(H,17,18)
InChIKeyBLHDXLNFCYWJOD-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.92
Rot. Bonds8

About 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid

4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid (PubChem CID 120688025) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
PubChem CID120688025
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)C(C)(C)CC(C)C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-10(2)7-12(13(17)18)9-16-14(19)15(5,6)8-11(3)4/h10-12H,7-9H2,1-6H3,(H,16,19)(H,17,18)
InChIKeyBLHDXLNFCYWJOD-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
CID 83143719
2-[(4,4-dimethylpentan-2-ylamino)methyl]-4-methylpentanoic acid
CID 122128173
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]-4-methylpentanoic acid
CID 83113400

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid (CID 120688025) is 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid is CC(C)CC(CNC(=O)C(C)(C)CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid?
The InChIKey is BLHDXLNFCYWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-10(2)7-12(13(17)18)9-16-14(19)15(5,6)8-11(3)4/h10-12H,7-9H2,1-6H3,(H,16,19)(H,17,18).
What are the key properties of 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid?
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid is sourced from PubChem (CID 120688025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).