2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide

C9H19N3O4 — CID 66171216

IUPAC2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCC(O)CO
InChIInChI=1S/C9H19N3O4/c1-3-10-9(16)12-8(15)6(2)11-4-7(14)5-13/h6-7,11,13-14H,3-5H2,1-2H3,(H2,10,12,15,16)
InChIKeyOGYDBIKEDZKYDS-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.84
Rot. Bonds6

About 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide

2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide (PubChem CID 66171216) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
PubChem CID66171216
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCC(O)CO
InChIInChI=1S/C9H19N3O4/c1-3-10-9(16)12-8(15)6(2)11-4-7(14)5-13/h6-7,11,13-14H,3-5H2,1-2H3,(H2,10,12,15,16)
InChIKeyOGYDBIKEDZKYDS-UHFFFAOYSA-N
XLogP-1.84
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036025
N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
CID 43083312
2-(cyclopentylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 43317222
N-(ethylcarbamoyl)-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190668
N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
CID 113256759
2-(2,3-dimethylbutylamino)-N-ethylpropanamide
CID 64571125
N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide
CID 107152658

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide (CID 66171216) is 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)NCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is OGYDBIKEDZKYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-3-10-9(16)12-8(15)6(2)11-4-7(14)5-13/h6-7,11,13-14H,3-5H2,1-2H3,(H2,10,12,15,16).
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide?
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 233.27 g/mol, XLogP of -1.84, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 66171216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).