2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid

C19H20N2O5 — CID 15600131

IUPAC2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid
SMILESNC(=O)C(N)Cc1ccccc1.O=C1OC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C10H8O4.C9H12N2O/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8H,5H2,(H,11,12);1-5,8H,6,10H2,(H2,11,12)
InChIKeyZPQMJHVXPDGQTH-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid

2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid (PubChem CID 15600131) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid
PubChem CID15600131
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid
SMILESNC(=O)C(N)Cc1ccccc1.O=C1OC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C10H8O4.C9H12N2O/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8H,5H2,(H,11,12);1-5,8H,6,10H2,(H2,11,12)
InChIKeyZPQMJHVXPDGQTH-UHFFFAOYSA-N
XLogP0.89
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-oxo-N-phenylmethoxy-3,4-dihydroisochromene-3-carboxamide
CID 95276381
6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 165442221
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(3S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 41137228
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanamide
CID 67854900
1-[(3S)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperidine-4-carboxamide
CID 51980812
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-[4-[[(3S)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenyl]acetate
CID 7389724
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 95325980
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid?
The IUPAC name of 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid (CID 15600131) is 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid.
What is the SMILES notation for 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid?
The canonical SMILES for 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid is NC(=O)C(N)Cc1ccccc1.O=C1OC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid?
The InChIKey is ZPQMJHVXPDGQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.C9H12N2O/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8H,5H2,(H,11,12);1-5,8H,6,10H2,(H2,11,12).
What are the key properties of 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid?
2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanamide;1-oxo-3,4-dihydroisochromene-3-carboxylic acid is sourced from PubChem (CID 15600131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).