2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid

C11H22N2O4 — CID 82041810

IUPAC2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid
SMILESCCN(CCO)C(C)(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-13(6-7-14)11(3,4)10(17)12-8(2)9(15)16/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyOBKAFGZLEYSZBT-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.33
Rot. Bonds7

About 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid

2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid (PubChem CID 82041810) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid
PubChem CID82041810
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid
SMILESCCN(CCO)C(C)(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-13(6-7-14)11(3,4)10(17)12-8(2)9(15)16/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyOBKAFGZLEYSZBT-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
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-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride
CID 39254590
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
(2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 139669849
2-[[3-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid
CID 82043239
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-(2,2-diethylhydrazinyl)propanoic acid
CID 175089566
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
2-(3-methylpentan-3-ylamino)propanoic acid
CID 103829131
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid (CID 82041810) is 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid is CCN(CCO)C(C)(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid?
The InChIKey is OBKAFGZLEYSZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-13(6-7-14)11(3,4)10(17)12-8(2)9(15)16/h8,14H,5-7H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid?
2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 82041810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).