2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid

C13H14N2O4 — CID 110835901

IUPAC2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
SMILESCc1[nH]c2cccc(O)c2c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H14N2O4/c1-7-11(13(19)15(2)6-10(17)18)12-8(14-7)4-3-5-9(12)16/h3-5,14,16H,6H2,1-2H3,(H,17,18)
InChIKeyMDGCHVOLTPALFS-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.34
Rot. Bonds3

About 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid

2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid (PubChem CID 110835901) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
PubChem CID110835901
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
SMILESCc1[nH]c2cccc(O)c2c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H14N2O4/c1-7-11(13(19)15(2)6-10(17)18)12-8(14-7)4-3-5-9(12)16/h3-5,14,16H,6H2,1-2H3,(H,17,18)
InChIKeyMDGCHVOLTPALFS-UHFFFAOYSA-N
XLogP1.34
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835915
2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835933
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
N,N-diethyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110855129
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
CID 70199870
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
CID 122107124
N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
CID 115691704
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid (CID 110835901) is 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid is Cc1[nH]c2cccc(O)c2c1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The InChIKey is MDGCHVOLTPALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-11(13(19)15(2)6-10(17)18)12-8(14-7)4-3-5-9(12)16/h3-5,14,16H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).