2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid

C13H20N2O2 — CID 103260843

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid
SMILESCC(CN(C)C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(9-15(2)3)14-12(13(16)17)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3,(H,16,17)
InChIKeyZQVUFENBUPAMMV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.35
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid

2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid (PubChem CID 103260843) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid
PubChem CID103260843
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid
SMILESCC(CN(C)C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(9-15(2)3)14-12(13(16)17)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3,(H,16,17)
InChIKeyZQVUFENBUPAMMV-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
CID 103256512
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 55036307
2-N-(2,2-diphenylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 107292758
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
CID 62109514
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
(2S)-2-[[carboxy(phenyl)methyl]amino]-2-deuterio-3-fluoropropanoic acid
CID 22792267
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid (CID 103260843) is 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid is CC(CN(C)C)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid?
The InChIKey is ZQVUFENBUPAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-15(2)3)14-12(13(16)17)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid?
2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid has a molecular weight of 236.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid is sourced from PubChem (CID 103260843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).