4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid

C7H16N2O2 — CID 10678540

IUPAC4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CN)C(CN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-7(2,4-9)5(3-8)6(10)11/h5H,3-4,8-9H2,1-2H3,(H,10,11)
InChIKeyTVYIRDWOSXVAAA-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.37
Rot. Bonds4

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

4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid (PubChem CID 10678540) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
PubChem CID10678540
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CN)C(CN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-7(2,4-9)5(3-8)6(10)11/h5H,3-4,8-9H2,1-2H3,(H,10,11)
InChIKeyTVYIRDWOSXVAAA-UHFFFAOYSA-N
XLogP-0.37
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(Aminomethyl)-3-methylbutanoic acid
CID 11018900
4-Amino-2-aminomethyl-3-methyl-butyric acid
CID 10080534
4-amino-2-(aminomethyl)butanoic Acid
CID 10582817
4-Amino-2,2-dimethylbutanoic acid hydrochloride
CID 42614145
2-(Aminomethyl)-3-methylbutanoic acid hydrochloride
CID 53397916
4-Amino-2-aminomethyl-2,3-dimethyl-butyric acid
CID 10397095
4-Amino-2-aminomethyl-2,3,3-trimethyl-butyric acid
CID 10487469
4-Amino-2-aminomethyl-2-methyl-butyric acid
CID 10749321
4-Amino-2,2-dimethylbutanoic acid
CID 1502029
2-(Aminomethyl)-3-methylbutanoic acid
CID 15775457
Ethylenediaminepropionic acid
CID 19798913
(2S)-2-(Aminomethyl)-3-methylbutanoic acid
CID 56971764

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid (CID 10678540) is 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid is CC(C)(CN)C(CN)C(=O)O.
What is the InChIKey of 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
The InChIKey is TVYIRDWOSXVAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,4-9)5(3-8)6(10)11/h5H,3-4,8-9H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 10678540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).