2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid

C19H17NO3 — CID 136556334

IUPAC2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2C3Cc4ccccc4C32)cc1
InChIInChI=1S/C19H17NO3/c21-16(22)9-11-5-7-13(8-6-11)20-19(23)18-15-10-12-3-1-2-4-14(12)17(15)18/h1-8,15,17-18H,9-10H2,(H,20,23)(H,21,22)
InChIKeyNXWOUZYYEPSIGD-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.84
Rot. Bonds4

About 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid

2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid (PubChem CID 136556334) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid
PubChem CID136556334
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2C3Cc4ccccc4C32)cc1
InChIInChI=1S/C19H17NO3/c21-16(22)9-11-5-7-13(8-6-11)20-19(23)18-15-10-12-3-1-2-4-14(12)17(15)18/h1-8,15,17-18H,9-10H2,(H,20,23)(H,21,22)
InChIKeyNXWOUZYYEPSIGD-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid (CID 136556334) is 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2C3Cc4ccccc4C32)cc1.
What is the InChIKey of 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid?
The InChIKey is NXWOUZYYEPSIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-16(22)9-11-5-7-13(8-6-11)20-19(23)18-15-10-12-3-1-2-4-14(12)17(15)18/h1-8,15,17-18H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid?
2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 136556334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).