2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid

C13H26N2O3 — CID 107475584

IUPAC2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCCC(C)(N)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-13(5,14)11(18)15-8-9(10(16)17)7-12(2,3)4/h9H,6-8,14H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyHRXDTMVMUUDVBG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.37
Rot. Bonds6

About 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid

2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107475584) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107475584
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCCC(C)(N)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-13(5,14)11(18)15-8-9(10(16)17)7-12(2,3)4/h9H,6-8,14H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyHRXDTMVMUUDVBG-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
3-[(2-amino-2-methylbutanoyl)amino]-2-phenylpropanoic acid
CID 79810888
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79811579

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid (CID 107475584) is 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid is CCC(C)(N)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is HRXDTMVMUUDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-13(5,14)11(18)15-8-9(10(16)17)7-12(2,3)4/h9H,6-8,14H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107475584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).