2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid

C14H13N3O2 — CID 116985921

IUPAC2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid
SMILESCNC(C(=O)O)c1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C14H13N3O2/c1-15-13(14(18)19)8-2-3-11-9(6-8)10-7-16-5-4-12(10)17-11/h2-7,13,15,17H,1H3,(H,18,19)
InChIKeyQUIBPOCLRXPZIM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.06
Rot. Bonds3

About 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid

2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid (PubChem CID 116985921) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid
PubChem CID116985921
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid
SMILESCNC(C(=O)O)c1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C14H13N3O2/c1-15-13(14(18)19)8-2-3-11-9(6-8)10-7-16-5-4-12(10)17-11/h2-7,13,15,17H,1H3,(H,18,19)
InChIKeyQUIBPOCLRXPZIM-UHFFFAOYSA-N
XLogP2.06
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile
CID 116985919
1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
CID 116985878
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
CID 116985874
3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
CID 117390924
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
ethane;5H-pyrido[4,3-b]indole
CID 176987523
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
CID 116986132
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid (CID 116985921) is 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid is CNC(C(=O)O)c1ccc2[nH]c3ccncc3c2c1.
What is the InChIKey of 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid?
The InChIKey is QUIBPOCLRXPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-13(14(18)19)8-2-3-11-9(6-8)10-7-16-5-4-12(10)17-11/h2-7,13,15,17H,1H3,(H,18,19).
What are the key properties of 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid?
2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid has a molecular weight of 255.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid is sourced from PubChem (CID 116985921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).