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

C13H26N2O4 — CID 82043239

IUPAC2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C(C)(C)CN(C)CCO)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-9(2)10(11(17)18)14-12(19)13(3,4)8-15(5)6-7-16/h9-10,16H,6-8H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyMLZUVZDKVMSHNO-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.16
Rot. Bonds8

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

2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid (PubChem CID 82043239) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid
PubChem CID82043239
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C(C)(C)CN(C)CCO)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-9(2)10(11(17)18)14-12(19)13(3,4)8-15(5)6-7-16/h9-10,16H,6-8H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyMLZUVZDKVMSHNO-UHFFFAOYSA-N
XLogP0.16
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]propanoic acid
CID 82041814
2-[3-[2-hydroxyethyl(methyl)amino]propanoylamino]-3-methylbutanoic acid
CID 82041809
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54995171
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid
CID 82041810
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54998159
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
CID 104869582
(2S,3R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-3-hydroxybutanoic acid
CID 104965263
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 79010195
(2S)-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 54968042

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid (CID 82043239) is 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid is CC(C)C(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]-3-methylbutanoic acid?
The InChIKey is MLZUVZDKVMSHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-9(2)10(11(17)18)14-12(19)13(3,4)8-15(5)6-7-16/h9-10,16H,6-8H2,1-5H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid?
2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid has a molecular weight of 274.36 g/mol, XLogP of 0.16, 8 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]-3-methylbutanoic acid is sourced from PubChem (CID 82043239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).