3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid

C13H18N2O4 — CID 66175762

IUPAC3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-13(19,12(17)18)8-15-11(16)7-10(14)9-5-3-2-4-6-9/h2-6,10,19H,7-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyRJEBDWNJXNGUCN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.03
Rot. Bonds6

About 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66175762) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66175762
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-13(19,12(17)18)8-15-11(16)7-10(14)9-5-3-2-4-6-9/h2-6,10,19H,7-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyRJEBDWNJXNGUCN-UHFFFAOYSA-N
XLogP0.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66175762) is 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)CC(N)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is RJEBDWNJXNGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(19,12(17)18)8-15-11(16)7-10(14)9-5-3-2-4-6-9/h2-6,10,19H,7-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66175762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).