(2R)-2-amino-2-(dimethylamino)propanoic acid

C5H12N2O2 — CID 91435944

IUPAC(2R)-2-amino-2-(dimethylamino)propanoic acid
SMILESCN(C)[C@@](C)(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-5(6,4(8)9)7(2)3/h6H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyHTSIXLRORQDUPP-RXMQYKEDSA-N
MW132.16 g/mol
LogP-0.69
Rot. Bonds2

About (2R)-2-amino-2-(dimethylamino)propanoic acid

(2R)-2-amino-2-(dimethylamino)propanoic acid (PubChem CID 91435944) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(dimethylamino)propanoic acid
PubChem CID91435944
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(2R)-2-amino-2-(dimethylamino)propanoic acid
SMILESCN(C)[C@@](C)(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c1-5(6,4(8)9)7(2)3/h6H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyHTSIXLRORQDUPP-RXMQYKEDSA-N
XLogP-0.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-2-(dimethylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-[bis(2-chloroethyl)amino]propanoic acid
CID 24832828
2-amino-2-(dimethylamino)butanoic acid
CID 88610523
2-amino-2-sulfanylpropanoic acid
CID 22715625
2-(dimethylamino)-2-iodopropanoic acid
CID 87761406
7-[amino-[(1R)-1-amino-1-carboxyethyl]amino]-7-oxoheptanoic acid
CID 150111225
2-[(2-amino-2-methylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819720
3-(dimethylamino)-3-methylbutan-2-one
CID 12054302
3,3,3-triamino-2,2-dimethylpropanoic acid
CID 87392414
2-amino-2-(dimethylamino)pentanoic acid
CID 87316301
2-N',2-N'-dimethylpropane-2,2-diamine
CID 15097057
2,2-dimethylpropanoic acid
CID 87781698
2-(dimethylamino)-2-methylpropanamide
CID 21409863

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(dimethylamino)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(dimethylamino)propanoic acid (CID 91435944) is (2R)-2-amino-2-(dimethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(dimethylamino)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(dimethylamino)propanoic acid is CN(C)[C@@](C)(N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(dimethylamino)propanoic acid?
The InChIKey is HTSIXLRORQDUPP-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-5(6,4(8)9)7(2)3/h6H2,1-3H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-2-(dimethylamino)propanoic acid?
(2R)-2-amino-2-(dimethylamino)propanoic acid has a molecular weight of 132.16 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(dimethylamino)propanoic acid is sourced from PubChem (CID 91435944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).