2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide

C9H20N2O3 — CID 66188345

IUPAC2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(C)(O)CO
InChIInChI=1S/C9H20N2O3/c1-7(2)11-8(13)4-10-5-9(3,14)6-12/h7,10,12,14H,4-6H2,1-3H3,(H,11,13)
InChIKeyOCYUBXVXPXWXFT-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.16
Rot. Bonds6

About 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide

2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide (PubChem CID 66188345) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide
PubChem CID66188345
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(C)(O)CO
InChIInChI=1S/C9H20N2O3/c1-7(2)11-8(13)4-10-5-9(3,14)6-12/h7,10,12,14H,4-6H2,1-3H3,(H,11,13)
InChIKeyOCYUBXVXPXWXFT-UHFFFAOYSA-N
XLogP-1.16
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 66186004
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
CID 65111812
3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
CID 66185324
N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
CID 66185310
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-propan-2-ylacetamide
CID 103911925
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
N-[(2R)-1-hydroxypropan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107218513
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 43214984

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide (CID 66188345) is 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC(C)(O)CO.
What is the InChIKey of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide?
The InChIKey is OCYUBXVXPXWXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)11-8(13)4-10-5-9(3,14)6-12/h7,10,12,14H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide?
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide has a molecular weight of 204.27 g/mol, XLogP of -1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 66188345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).