3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid

C9H19NO4 — CID 22902542

IUPAC3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN(CCO)CCO)C(=O)O
InChIInChI=1S/C9H19NO4/c1-9(2,8(13)14)7-10(3-5-11)4-6-12/h11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyFETCZNSRVLIWQS-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.62
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid

3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 22902542) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
PubChem CID22902542
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN(CCO)CCO)C(=O)O
InChIInChI=1S/C9H19NO4/c1-9(2,8(13)14)7-10(3-5-11)4-6-12/h11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyFETCZNSRVLIWQS-UHFFFAOYSA-N
XLogP-0.62
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
CID 91844643
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
3-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpropanehydrazide
CID 79630779
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626659
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid
CID 79621524
bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)
CID 139173792
4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302582
3-[2-cyanoethyl(2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 79623580
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79621087

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid (CID 22902542) is 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CN(CCO)CCO)C(=O)O.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is FETCZNSRVLIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,8(13)14)7-10(3-5-11)4-6-12/h11-12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid?
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 22902542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).