3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide

C8H18N2O4 — CID 107852330

IUPAC3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide
SMILESCC(CNC(CO)(CO)CO)C(N)=O
InChIInChI=1S/C8H18N2O4/c1-6(7(9)14)2-10-8(3-11,4-12)5-13/h6,10-13H,2-5H2,1H3,(H2,9,14)
InChIKeyUUSLOGVZTLPISL-UHFFFAOYSA-N
MW206.24 g/mol
LogP-2.59
Rot. Bonds7

About 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide

3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide (PubChem CID 107852330) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide
PubChem CID107852330
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide
SMILESCC(CNC(CO)(CO)CO)C(N)=O
InChIInChI=1S/C8H18N2O4/c1-6(7(9)14)2-10-8(3-11,4-12)5-13/h6,10-13H,2-5H2,1H3,(H2,9,14)
InChIKeyUUSLOGVZTLPISL-UHFFFAOYSA-N
XLogP-2.59
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

Propanoic acid, 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-2-methyl-
CID 88894421
N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide
CID 2911778
3-(diethylamino)propanoic acid N-[tri(hydroxy-methyl)methyl]amide
CID 129761524
2-(3-Aminopropylamino)-2-(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)propane-1,3-diol
CID 449202
3-(hexylamino)propanoic acid N-[tri(hydroxy-methyl)methyl]amide
CID 129761538
N,N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]propanediamide
CID 1789280
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide
CID 22900982
N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide
CID 23140861
N,N'-bis(1-hydroxypropan-2-yl)propanediamide
CID 23141053
3-acetamido-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390528
3-[(1-Hydroxy-2-methylpropan-2-yl)amino]propanamide
CID 43417124
3-[(1-Hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanamide
CID 43499825

Frequently Asked Questions

What is the IUPAC name of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide?
The IUPAC name of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide (CID 107852330) is 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide.
What is the SMILES notation for 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide?
The canonical SMILES for 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide is CC(CNC(CO)(CO)CO)C(N)=O.
What is the InChIKey of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide?
The InChIKey is UUSLOGVZTLPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-6(7(9)14)2-10-8(3-11,4-12)5-13/h6,10-13H,2-5H2,1H3,(H2,9,14).
What are the key properties of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide?
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide has a molecular weight of 206.24 g/mol, XLogP of -2.59, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanamide is sourced from PubChem (CID 107852330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).