3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide

C13H19N3O3 — CID 106175749

IUPAC3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCC(O)C(N)=O)C(N)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-8(11(14)9-5-3-2-4-6-9)13(19)16-7-10(17)12(15)18/h2-6,8,10-11,17H,7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyGLUNBOCXBMWUEF-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.72
Rot. Bonds6

About 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide

3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide (PubChem CID 106175749) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
PubChem CID106175749
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCC(O)C(N)=O)C(N)c1ccccc1
InChIInChI=1S/C13H19N3O3/c1-8(11(14)9-5-3-2-4-6-9)13(19)16-7-10(17)12(15)18/h2-6,8,10-11,17H,7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyGLUNBOCXBMWUEF-UHFFFAOYSA-N
XLogP-0.72
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
2-hydroxy-3-(2-phenylpropanoylamino)propanamide
CID 107260947
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-3-phenylpropanamide
CID 106310884

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide (CID 106175749) is 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide is CC(C(=O)NCC(O)C(N)=O)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide?
The InChIKey is GLUNBOCXBMWUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(11(14)9-5-3-2-4-6-9)13(19)16-7-10(17)12(15)18/h2-6,8,10-11,17H,7,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide has a molecular weight of 265.31 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 106175749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).