2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid

C11H22N2O4 — CID 82041814

IUPAC2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(C)(C)CN(C)CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(9(15)16)12-10(17)11(2,3)7-13(4)5-6-14/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyDFNXVIHCPDJZPJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.47
Rot. Bonds7

About 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid

2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid (PubChem CID 82041814) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid
PubChem CID82041814
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(C)(C)CN(C)CCO)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(9(15)16)12-10(17)11(2,3)7-13(4)5-6-14/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyDFNXVIHCPDJZPJ-UHFFFAOYSA-N
XLogP-0.47
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid
CID 82043239
2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid
CID 82041810
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
(2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 139669849
2-[[3-(azepan-1-yl)-2,2-dimethylpropanoyl]amino]propanoic acid
CID 82043040
2-[3-[2-hydroxyethyl(methyl)amino]propanoylamino]-3-methylbutanoic acid
CID 82041809
(2R)-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]amino]propanoic acid
CID 104864074
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175077648
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid (CID 82041814) is 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid is CC(NC(=O)C(C)(C)CN(C)CCO)C(=O)O.
What is the InChIKey of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid?
The InChIKey is DFNXVIHCPDJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(9(15)16)12-10(17)11(2,3)7-13(4)5-6-14/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid?
2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 82041814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).