2,3-diamino-4,4-dimethylpentanoic acid

C7H16N2O2 — CID 116942173

IUPAC2,3-diamino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(N)C(N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-7(2,3)5(9)4(8)6(10)11/h4-5H,8-9H2,1-3H3,(H,10,11)
InChIKeyGYTRHJSNIWSPKQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.23
Rot. Bonds2

About 2,3-diamino-4,4-dimethylpentanoic acid

2,3-diamino-4,4-dimethylpentanoic acid (PubChem CID 116942173) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,3-diamino-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2,3-diamino-4,4-dimethylpentanoic acid
PubChem CID116942173
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2,3-diamino-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(N)C(N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-7(2,3)5(9)4(8)6(10)11/h4-5H,8-9H2,1-3H3,(H,10,11)
InChIKeyGYTRHJSNIWSPKQ-UHFFFAOYSA-N
XLogP-0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87326653
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tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide
CID 146627108
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2R,3R)-2-amino-3,4-dimethylpentanoic acid
CID 87919550
(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
CID 57426035

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4,4-dimethylpentanoic acid?
The IUPAC name of 2,3-diamino-4,4-dimethylpentanoic acid (CID 116942173) is 2,3-diamino-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2,3-diamino-4,4-dimethylpentanoic acid?
The canonical SMILES for 2,3-diamino-4,4-dimethylpentanoic acid is CC(C)(C)C(N)C(N)C(=O)O.
What is the InChIKey of 2,3-diamino-4,4-dimethylpentanoic acid?
The InChIKey is GYTRHJSNIWSPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,3)5(9)4(8)6(10)11/h4-5H,8-9H2,1-3H3,(H,10,11).
What are the key properties of 2,3-diamino-4,4-dimethylpentanoic acid?
2,3-diamino-4,4-dimethylpentanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4,4-dimethylpentanoic acid is sourced from PubChem (CID 116942173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).