2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid

C16H18N2O4 — CID 119235436

IUPAC2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
SMILESCC1(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)CCCO1
InChIInChI=1S/C16H18N2O4/c1-16(6-2-8-22-16)15(21)17-12-3-4-13-11(9-12)5-7-18(13)10-14(19)20/h3-5,7,9H,2,6,8,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyJDHJLFIFUIQTLA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.23
Rot. Bonds4

About 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid

2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid (PubChem CID 119235436) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
PubChem CID119235436
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
SMILESCC1(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)CCCO1
InChIInChI=1S/C16H18N2O4/c1-16(6-2-8-22-16)15(21)17-12-3-4-13-11(9-12)5-7-18(13)10-14(19)20/h3-5,7,9H,2,6,8,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyJDHJLFIFUIQTLA-UHFFFAOYSA-N
XLogP2.23
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
CID 81003405
2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
CID 120687451
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235412
2-[5-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235417
4-(aminomethyl)-N-[1-(2-methylpropyl)indol-5-yl]oxane-4-carboxamide;dihydrochloride
CID 120940199
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
2-[5-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235394

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid (CID 119235436) is 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid is CC1(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)CCCO1.
What is the InChIKey of 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid?
The InChIKey is JDHJLFIFUIQTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-16(6-2-8-22-16)15(21)17-12-3-4-13-11(9-12)5-7-18(13)10-14(19)20/h3-5,7,9H,2,6,8,10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid?
2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).