2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid

C15H18N2O3 — CID 79851305

IUPAC2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2Cc3ccccc3C2)CCC1
InChIInChI=1S/C15H18N2O3/c18-13(19)8-15(6-3-7-15)16-14(20)17-9-11-4-1-2-5-12(11)10-17/h1-2,4-5H,3,6-10H2,(H,16,20)(H,18,19)
InChIKeyBSJLMQVLJBZNMT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.11
Rot. Bonds3

About 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid

2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid (PubChem CID 79851305) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
PubChem CID79851305
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2Cc3ccccc3C2)CCC1
InChIInChI=1S/C15H18N2O3/c18-13(19)8-15(6-3-7-15)16-14(20)17-9-11-4-1-2-5-12(11)10-17/h1-2,4-5H,3,6-10H2,(H,16,20)(H,18,19)
InChIKeyBSJLMQVLJBZNMT-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
CID 79846404
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
CID 79845796
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79851776
2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid
CID 119217364
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid
CID 114411790
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid (CID 79851305) is 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)N2Cc3ccccc3C2)CCC1.
What is the InChIKey of 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid?
The InChIKey is BSJLMQVLJBZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(19)8-15(6-3-7-15)16-14(20)17-9-11-4-1-2-5-12(11)10-17/h1-2,4-5H,3,6-10H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid?
2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).