2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide

C9H20N2O3 — CID 66169110

IUPAC2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC(O)CO
InChIInChI=1S/C9H20N2O3/c1-6(2)11-9(14)7(3)10-4-8(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)
InChIKeyFIFLLXNOJXNIPX-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.16
Rot. Bonds6

About 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide

2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide (PubChem CID 66169110) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
PubChem CID66169110
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC(O)CO
InChIInChI=1S/C9H20N2O3/c1-6(2)11-9(14)7(3)10-4-8(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14)
InChIKeyFIFLLXNOJXNIPX-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-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide
CID 113406919
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
CID 115406651
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
CID 66171216
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide (CID 66169110) is 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide?
The InChIKey is FIFLLXNOJXNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-6(2)11-9(14)7(3)10-4-8(13)5-12/h6-8,10,12-13H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide?
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide 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-dihydroxypropylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 66169110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).