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

C16H19NO3 — CID 120686820

IUPAC2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cccc3c2CCC3)CCC1
InChIInChI=1S/C16H19NO3/c18-14(19)10-16(8-3-9-16)17-15(20)13-7-2-5-11-4-1-6-12(11)13/h2,5,7H,1,3-4,6,8-10H2,(H,17,20)(H,18,19)
InChIKeyUUJUGDGDRLJAQP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.30
Rot. Bonds4

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

2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid (PubChem CID 120686820) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
PubChem CID120686820
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cccc3c2CCC3)CCC1
InChIInChI=1S/C16H19NO3/c18-14(19)10-16(8-3-9-16)17-15(20)13-7-2-5-11-4-1-6-12(11)13/h2,5,7H,1,3-4,6,8-10H2,(H,17,20)(H,18,19)
InChIKeyUUJUGDGDRLJAQP-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid
CID 120686745
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-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid (CID 120686820) is 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2cccc3c2CCC3)CCC1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid?
The InChIKey is UUJUGDGDRLJAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(19)10-16(8-3-9-16)17-15(20)13-7-2-5-11-4-1-6-12(11)13/h2,5,7H,1,3-4,6,8-10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid?
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 120686820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).