2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid

C16H20N2O3 — CID 81164791

IUPAC2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2Cc3ccccc3N2)CCC1
InChIInChI=1S/C16H20N2O3/c19-14(20)9-16(6-3-7-16)10-17-15(21)13-8-11-4-1-2-5-12(11)18-13/h1-2,4-5,13,18H,3,6-10H2,(H,17,21)(H,19,20)
InChIKeyUNNDBSILOKPIBP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds5

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

2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164791) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164791
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2Cc3ccccc3N2)CCC1
InChIInChI=1S/C16H20N2O3/c19-14(20)9-16(6-3-7-16)10-17-15(21)13-8-11-4-1-2-5-12(11)18-13/h1-2,4-5,13,18H,3,6-10H2,(H,17,21)(H,19,20)
InChIKeyUNNDBSILOKPIBP-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
1-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161703
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 80567431
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81433506
(3R)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115454960
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid (CID 81164791) is 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)C2Cc3ccccc3N2)CCC1.
What is the InChIKey of 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is UNNDBSILOKPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(20)9-16(6-3-7-16)10-17-15(21)13-8-11-4-1-2-5-12(11)18-13/h1-2,4-5,13,18H,3,6-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).