2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide

C8H18N2O3 — CID 61142666

IUPAC2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC[C@H](O)CO
InChIInChI=1S/C8H18N2O3/c1-6(2)10-8(13)4-9-3-7(12)5-11/h6-7,9,11-12H,3-5H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyXIPPVCSHBNSJLH-ZETCQYMHSA-N
MW190.24 g/mol
LogP-1.55
Rot. Bonds6

About 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide

2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide (PubChem CID 61142666) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
PubChem CID61142666
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC[C@H](O)CO
InChIInChI=1S/C8H18N2O3/c1-6(2)10-8(13)4-9-3-7(12)5-11/h6-7,9,11-12H,3-5H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyXIPPVCSHBNSJLH-ZETCQYMHSA-N
XLogP-1.55
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylamino)-N-(3-methylbutan-2-yl)acetamide
CID 66171224
2-amino-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103239204
2-(2,3-dihydroxypropylamino)-N-(2-methylbutan-2-yl)acetamide
CID 66168467
2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
CID 66170580
2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
CID 60901605
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide (CID 61142666) is 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC[C@H](O)CO.
What is the InChIKey of 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide?
The InChIKey is XIPPVCSHBNSJLH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-6(2)10-8(13)4-9-3-7(12)5-11/h6-7,9,11-12H,3-5H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide?
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide has a molecular weight of 190.24 g/mol, XLogP of -1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 61142666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).