2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid

C25H24N2O4 — CID 110165717

IUPAC2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1
InChIInChI=1S/C25H24N2O4/c1-26-22-6-4-3-5-20(22)21-12-9-18(13-23(21)26)14-24(28)27(16-25(29)30)15-17-7-10-19(31-2)11-8-17/h3-13H,14-16H2,1-2H3,(H,29,30)
InChIKeyOCLCOQAJLOYIRZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.00
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid

2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid (PubChem CID 110165717) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid
PubChem CID110165717
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1
InChIInChI=1S/C25H24N2O4/c1-26-22-6-4-3-5-20(22)21-12-9-18(13-23(21)26)14-24(28)27(16-25(29)30)15-17-7-10-19(31-2)11-8-17/h3-13H,14-16H2,1-2H3,(H,29,30)
InChIKeyOCLCOQAJLOYIRZ-UHFFFAOYSA-N
XLogP4.00
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl-[3-(1-propylindol-3-yl)propanoyl]amino]acetic acid
CID 129457824
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxybenzoyl)amino]acetic acid
CID 141127915
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(4-methoxyphenyl)methyl-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 174174199
2-[[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]acetyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 70347362
2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
CID 119197747
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
2-[(4-methoxyphenoxy)carbonyl-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 69439968
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 61021983

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid (CID 110165717) is 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid is COc1ccc(CN(CC(=O)O)C(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid?
The InChIKey is OCLCOQAJLOYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-26-22-6-4-3-5-20(22)21-12-9-18(13-23(21)26)14-24(28)27(16-25(29)30)15-17-7-10-19(31-2)11-8-17/h3-13H,14-16H2,1-2H3,(H,29,30).
What are the key properties of 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid?
2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid has a molecular weight of 416.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110165717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).