3,3,3-triamino-2,2-dimethylpropanoic acid

C5H13N3O2 — CID 87392414

IUPAC3,3,3-triamino-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(N)(N)N
InChIInChI=1S/C5H13N3O2/c1-4(2,3(9)10)5(6,7)8/h6-8H2,1-2H3,(H,9,10)
InChIKeyDHQLBOWSRYDKTQ-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.37
Rot. Bonds2

About 3,3,3-triamino-2,2-dimethylpropanoic acid

3,3,3-triamino-2,2-dimethylpropanoic acid (PubChem CID 87392414) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3,3,3-triamino-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3,3,3-triamino-2,2-dimethylpropanoic acid
PubChem CID87392414
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Name3,3,3-triamino-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(N)(N)N
InChIInChI=1S/C5H13N3O2/c1-4(2,3(9)10)5(6,7)8/h6-8H2,1-2H3,(H,9,10)
InChIKeyDHQLBOWSRYDKTQ-UHFFFAOYSA-N
XLogP-1.37
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-sulfanylpropanoic acid
CID 22715625
2,2-dimethylpropanoic acid
CID 87781698
3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
CID 105443227
2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
CID 140576476
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
3-carbamoyloxy-2,2,3-trimethylbutanoic acid
CID 163692973
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(2R)-2-amino-2-(dimethylamino)propanoic acid
CID 91435944
2-amino-3-hydroxy-2-methylbut-3-enoic acid
CID 155265357
2,2-dimethylpropanoic acid;lanthanum
CID 160817860

Frequently Asked Questions

What is the IUPAC name of 3,3,3-triamino-2,2-dimethylpropanoic acid?
The IUPAC name of 3,3,3-triamino-2,2-dimethylpropanoic acid (CID 87392414) is 3,3,3-triamino-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3,3,3-triamino-2,2-dimethylpropanoic acid?
The canonical SMILES for 3,3,3-triamino-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(N)(N)N.
What is the InChIKey of 3,3,3-triamino-2,2-dimethylpropanoic acid?
The InChIKey is DHQLBOWSRYDKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-4(2,3(9)10)5(6,7)8/h6-8H2,1-2H3,(H,9,10).
What are the key properties of 3,3,3-triamino-2,2-dimethylpropanoic acid?
3,3,3-triamino-2,2-dimethylpropanoic acid has a molecular weight of 147.18 g/mol, XLogP of -1.37, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-triamino-2,2-dimethylpropanoic acid is sourced from PubChem (CID 87392414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).