2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid

C21H17N3O4 — CID 68836564

IUPAC2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2c3ccccc3n(-c3ccccc3)c2c1CO
InChIInChI=1S/C21H17N3O4/c25-12-16-19(21(28)23-11-18(26)27)22-10-15-14-8-4-5-9-17(14)24(20(15)16)13-6-2-1-3-7-13/h1-10,25H,11-12H2,(H,23,28)(H,26,27)
InChIKeyYKFHUPRHJZBYFM-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.49
Rot. Bonds5

About 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid

2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid (PubChem CID 68836564) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid
PubChem CID68836564
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2c3ccccc3n(-c3ccccc3)c2c1CO
InChIInChI=1S/C21H17N3O4/c25-12-16-19(21(28)23-11-18(26)27)22-10-15-14-8-4-5-9-17(14)24(20(15)16)13-6-2-1-3-7-13/h1-10,25H,11-12H2,(H,23,28)(H,26,27)
InChIKeyYKFHUPRHJZBYFM-UHFFFAOYSA-N
XLogP2.49
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

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CID 68837426
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CID 44579731
2-[(4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639238
2-[(4-hydroxy-[1]benzofuro[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639237
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CID 58175562
2-[(5-amino-4-methylisoquinoline-1-carbonyl)amino]acetic acid
CID 82571995
9-phenylpyrido[2,3-b]indole
CID 15939260
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
11-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c][1,7]naphthyridine
CID 90336672
15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506333
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid (CID 68836564) is 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc2c3ccccc3n(-c3ccccc3)c2c1CO.
What is the InChIKey of 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid?
The InChIKey is YKFHUPRHJZBYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-12-16-19(21(28)23-11-18(26)27)22-10-15-14-8-4-5-9-17(14)24(20(15)16)13-6-2-1-3-7-13/h1-10,25H,11-12H2,(H,23,28)(H,26,27).
What are the key properties of 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid?
2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid has a molecular weight of 375.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-5-phenylpyrido[4,3-b]indole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 68836564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).