3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid

C14H18N2O3 — CID 117042109

IUPAC3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H18N2O3/c1-9(6-14(18)19)15(2)11-4-5-12-10(7-11)8-13(17)16(12)3/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)
InChIKeyKVFGEAIPLZSKAN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.50
Rot. Bonds4

About 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid

3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid (PubChem CID 117042109) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid
PubChem CID117042109
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H18N2O3/c1-9(6-14(18)19)15(2)11-4-5-12-10(7-11)8-13(17)16(12)3/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)
InChIKeyKVFGEAIPLZSKAN-UHFFFAOYSA-N
XLogP1.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyloxindole
CID 66135
4-(2,3-Dihydro-indol-1-yl)-4-oxo-butyric acid
CID 730429
5-Amino-1-methyl-2-oxoindoline
CID 22692470
2-(2-oxo-2,3-dihydro-1H-indol-1-yl)acetic acid
CID 20093508
(E)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid
CID 44576946
(Z)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid
CID 44576974
(E)-2-(1-dodecyl-2-oxoindolin-3-ylidene)acetic acid
CID 24857863
(E)-2-(1-hexadecyl-2-oxoindolin-3-ylidene)acetic acid
CID 44576948
(Z)-2-(1-dodecyl-2-oxoindolin-3-ylidene)acetic acid
CID 44576975
(Z)-2-(2-oxo-1-tetradecylindolin-3-ylidene)acetic acid
CID 44576976
(Z)-2-(1-hexadecyl-2-oxoindolin-3-ylidene)acetic acid
CID 44577007
5-Amino-1-ethylindolin-2-one
CID 22692471

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid?
The IUPAC name of 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid (CID 117042109) is 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid?
The canonical SMILES for 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid is CC(CC(=O)O)N(C)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid?
The InChIKey is KVFGEAIPLZSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(6-14(18)19)15(2)11-4-5-12-10(7-11)8-13(17)16(12)3/h4-5,7,9H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid?
3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methyl-2-oxo-3H-indol-5-yl)amino]butanoic acid is sourced from PubChem (CID 117042109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).