2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid

C15H16N2O4 — CID 119195409

IUPAC2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1Cc2ccccc2C1=O)C1CC1
InChIInChI=1S/C15H16N2O4/c18-13(17(9-14(19)20)11-5-6-11)8-16-7-10-3-1-2-4-12(10)15(16)21/h1-4,11H,5-9H2,(H,19,20)
InChIKeyKEFUQDCYTNSBGQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.72
Rot. Bonds5

About 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid (PubChem CID 119195409) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
PubChem CID119195409
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1Cc2ccccc2C1=O)C1CC1
InChIInChI=1S/C15H16N2O4/c18-13(17(9-14(19)20)11-5-6-11)8-16-7-10-3-1-2-4-12(10)15(16)21/h1-4,11H,5-9H2,(H,19,20)
InChIKeyKEFUQDCYTNSBGQ-UHFFFAOYSA-N
XLogP0.72
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119200744
2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
CID 119195419
N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide
CID 71845218
1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119355060
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20906009
2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119194768
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
2-[2-(4-chlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62023062
N-(2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905924
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119187853
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 129490807

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid (CID 119195409) is 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CN1Cc2ccccc2C1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
The InChIKey is KEFUQDCYTNSBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(17(9-14(19)20)11-5-6-11)8-16-7-10-3-1-2-4-12(10)15(16)21/h1-4,11H,5-9H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119195409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).