3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide

C10H22N2O3 — CID 66170383

IUPAC3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(O)CO
InChIInChI=1S/C10H22N2O3/c1-9(2,10(3,4)11)8(15)12-5-7(14)6-13/h7,13-14H,5-6,11H2,1-4H3,(H,12,15)
InChIKeyWOQRLWAOSRXMFE-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.78
Rot. Bonds5

About 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide

3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide (PubChem CID 66170383) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
PubChem CID66170383
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(O)CO
InChIInChI=1S/C10H22N2O3/c1-9(2,10(3,4)11)8(15)12-5-7(14)6-13/h7,13-14H,5-6,11H2,1-4H3,(H,12,15)
InChIKeyWOQRLWAOSRXMFE-UHFFFAOYSA-N
XLogP-0.78
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 105646022
3-amino-N-(3,3-difluoro-2-hydroxypropyl)-2,2,3-trimethylbutanamide
CID 105646306
3-amino-N-(3-hydroxypropyl)-3-methylbutanamide
CID 14210775
3-(2,3-Dihydroxypropylamino)-3-methylbutanamide
CID 19101545
N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide
CID 20678198
N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide
CID 21027172
[3-(2,2-Dimethylbutanoylamino)-2-hydroxypropyl]-trimethylazanium
CID 22964793
3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
CID 57139592
N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124320
(2S)-2-amino-N-[(2S)-2,3-dihydroxypropyl]-3,3-dimethylbutanamide
CID 58124388
(2S)-2-amino-N-[(2R)-2,3-dihydroxypropyl]-3,3-dimethylbutanamide
CID 58124419
N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 58679304

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide (CID 66170383) is 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCC(O)CO.
What is the InChIKey of 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide?
The InChIKey is WOQRLWAOSRXMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(2,10(3,4)11)8(15)12-5-7(14)6-13/h7,13-14H,5-6,11H2,1-4H3,(H,12,15).
What are the key properties of 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 66170383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).