methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate

C17H21NO3 — CID 66805415

IUPACmethyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC2
InChIInChI=1S/C17H21NO3/c1-21-17(20)13-7-6-11-8-9-15(14(11)10-13)18-16(19)12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyACLCDOWQZHVJHT-OAHLLOKOSA-N
MW287.36 g/mol
LogP2.77
Rot. Bonds3

About methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805415) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805415
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC2
InChIInChI=1S/C17H21NO3/c1-21-17(20)13-7-6-11-8-9-15(14(11)10-13)18-16(19)12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyACLCDOWQZHVJHT-OAHLLOKOSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 66805415) is methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC2.
What is the InChIKey of methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is ACLCDOWQZHVJHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-17(20)13-7-6-11-8-9-15(14(11)10-13)18-16(19)12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).