3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid

C12H24N2O3 — CID 107472063

IUPAC3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C(CN)CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(11(16)17)7-14-10(15)9(6-13)5-12(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyFVDUFCQJPOISAK-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.83
Rot. Bonds6

About 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid

3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid (PubChem CID 107472063) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
PubChem CID107472063
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C(CN)CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(11(16)17)7-14-10(15)9(6-13)5-12(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyFVDUFCQJPOISAK-UHFFFAOYSA-N
XLogP0.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-methoxybutanoic acid
CID 107472865
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 65228523
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
2-(aminomethyl)-4,4-dimethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 114094166
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid (CID 107472063) is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C(CN)CC(C)(C)C)C(=O)O.
What is the InChIKey of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid?
The InChIKey is FVDUFCQJPOISAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(11(16)17)7-14-10(15)9(6-13)5-12(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid?
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 107472063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).