ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane

C16H34N2O6 — CID 163239020

IUPACethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
SMILESCC(C)C.CCC(=O)N(CCO)CCC(=O)NCC(=O)O.CCO
InChIInChI=1S/C10H18N2O5.C4H10.C2H6O/c1-2-9(15)12(5-6-13)4-3-8(14)11-7-10(16)17;1-4(2)3;1-2-3/h13H,2-7H2,1H3,(H,11,14)(H,16,17);4H,1-3H3;3H,2H2,1H3
InChIKeyUVUNOOBAWLTTGW-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.47
Rot. Bonds8

About ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane

ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane (PubChem CID 163239020) has the molecular formula C16H34N2O6 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane.

Molecular Properties

Compound Nameethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
PubChem CID163239020
Molecular FormulaC16H34N2O6
Molecular Weight350.46 g/mol
Exact Mass350.24
IUPAC Nameethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
SMILESCC(C)C.CCC(=O)N(CCO)CCC(=O)NCC(=O)O.CCO
InChIInChI=1S/C10H18N2O5.C4H10.C2H6O/c1-2-9(15)12(5-6-13)4-3-8(14)11-7-10(16)17;1-4(2)3;1-2-3/h13H,2-7H2,1H3,(H,11,14)(H,16,17);4H,1-3H3;3H,2H2,1H3
InChIKeyUVUNOOBAWLTTGW-UHFFFAOYSA-N
XLogP0.47
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
CID 82323236
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]propanamide
CID 110907242
2-[3-[2-hydroxyethyl-[2-[2-hydroxyethyl-[2-[2-methylpropyl-(4-nitrobenzoyl)amino]acetyl]amino]acetyl]amino]propanoylamino]acetic acid
CID 163239014
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 163216246
2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 22722873
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 174049778
N-ethyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62326642

Frequently Asked Questions

What is the IUPAC name of ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane?
The IUPAC name of ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane (CID 163239020) is ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane.
What is the SMILES notation for ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane?
The canonical SMILES for ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane is CC(C)C.CCC(=O)N(CCO)CCC(=O)NCC(=O)O.CCO.
What is the InChIKey of ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane?
The InChIKey is UVUNOOBAWLTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5.C4H10.C2H6O/c1-2-9(15)12(5-6-13)4-3-8(14)11-7-10(16)17;1-4(2)3;1-2-3/h13H,2-7H2,1H3,(H,11,14)(H,16,17);4H,1-3H3;3H,2H2,1H3.
What are the key properties of ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane?
ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane has a molecular weight of 350.46 g/mol, XLogP of 0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane is sourced from PubChem (CID 163239020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).