2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid

C17H21NO4 — CID 120686745

IUPAC2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cccc3c2CCC3)CCOCC1
InChIInChI=1S/C17H21NO4/c19-15(20)11-17(7-9-22-10-8-17)18-16(21)14-6-2-4-12-3-1-5-13(12)14/h2,4,6H,1,3,5,7-11H2,(H,18,21)(H,19,20)
InChIKeySYTPNPFJXXBNTF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid

2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid (PubChem CID 120686745) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid
PubChem CID120686745
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cccc3c2CCC3)CCOCC1
InChIInChI=1S/C17H21NO4/c19-15(20)11-17(7-9-22-10-8-17)18-16(21)14-6-2-4-12-3-1-5-13(12)14/h2,4,6H,1,3,5,7-11H2,(H,18,21)(H,19,20)
InChIKeySYTPNPFJXXBNTF-UHFFFAOYSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-[1-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)cyclobutyl]acetic acid
CID 104558779
N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126798197
2-[4-[(3-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 119214767
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2-[4-[(4-bromo-2,5-dimethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 120521397
2-[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214606
2-[4-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214961
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid
CID 119214743

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid (CID 120686745) is 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2cccc3c2CCC3)CCOCC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid?
The InChIKey is SYTPNPFJXXBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15(20)11-17(7-9-22-10-8-17)18-16(21)14-6-2-4-12-3-1-5-13(12)14/h2,4,6H,1,3,5,7-11H2,(H,18,21)(H,19,20).
What are the key properties of 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid?
2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid is sourced from PubChem (CID 120686745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).