3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride

C15H21ClN2O4 — CID 71459006

IUPAC3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)O)CN2.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19;/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19);1H
InChIKeyWISYKHVUMOKRMA-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.93
Rot. Bonds5

About 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride

3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride (PubChem CID 71459006) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
PubChem CID71459006
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)O)CN2.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19;/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19);1H
InChIKeyWISYKHVUMOKRMA-UHFFFAOYSA-N
XLogP2.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
CID 71450003
methyl 3-[4-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
CID 71455369
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride
CID 86294805
3-[4-[(4-methoxyphenyl)-methylcarbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoic acid;hydrochloride
CID 71455373
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003
propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate
CID 140669717
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
CID 45265587
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride (CID 71459006) is 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride is CCN(C)C(=O)Oc1cccc2c1C(CCC(=O)O)CN2.Cl.
What is the InChIKey of 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride?
The InChIKey is WISYKHVUMOKRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19;/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride?
3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 71459006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).