2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid

C14H14N2O5 — CID 63650839

IUPAC2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)CC(=O)O)c2ccccc21
InChIInChI=1S/C14H14N2O5/c1-15-6-10(9-4-2-3-5-11(9)15)14(21)16(7-12(17)18)8-13(19)20/h2-6H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyCBLICDWHRBNLKS-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.79
Rot. Bonds5

About 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid

2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid (PubChem CID 63650839) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
PubChem CID63650839
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)CC(=O)O)c2ccccc21
InChIInChI=1S/C14H14N2O5/c1-15-6-10(9-4-2-3-5-11(9)15)14(21)16(7-12(17)18)8-13(19)20/h2-6H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyCBLICDWHRBNLKS-UHFFFAOYSA-N
XLogP0.79
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
CID 43360106
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methylindole-3-carbothioic S-acid
CID 116918837
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
CID 118928461
2-[2-[(1-methylindole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241754
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid (CID 63650839) is 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid is Cn1cc(C(=O)N(CC(=O)O)CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid?
The InChIKey is CBLICDWHRBNLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-15-6-10(9-4-2-3-5-11(9)15)14(21)16(7-12(17)18)8-13(19)20/h2-6H,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid?
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63650839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).