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

C14H28N2O3 — CID 107471760

IUPAC2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)CC(CN)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-13(2,3)7-9(8-15)11(17)16-10(12(18)19)14(4,5)6/h9-10H,7-8,15H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyGLBFGFBNVPICQQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.61
Rot. Bonds5

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

2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 107471760) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID107471760
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)CC(CN)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-13(2,3)7-9(8-15)11(17)16-10(12(18)19)14(4,5)6/h9-10H,7-8,15H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyGLBFGFBNVPICQQ-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-4-methylsulfonylbutanoic acid
CID 107471749
(2S)-2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824122
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid (CID 107471760) is 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)CC(CN)C(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is GLBFGFBNVPICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)7-9(8-15)11(17)16-10(12(18)19)14(4,5)6/h9-10H,7-8,15H2,1-6H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 107471760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).