2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid

C16H20N2O3 — CID 61480590

IUPAC2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H20N2O3/c19-14(20)9-10-1-7-13(8-2-10)17-16(21)18-15(11-3-4-11)12-5-6-12/h1-2,7-8,11-12,15H,3-6,9H2,(H,19,20)(H2,17,18,21)
InChIKeyPLDATDBCFKURKI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.62
Rot. Bonds6

About 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid

2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid (PubChem CID 61480590) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid
PubChem CID61480590
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H20N2O3/c19-14(20)9-10-1-7-13(8-2-10)17-16(21)18-15(11-3-4-11)12-5-6-12/h1-2,7-8,11-12,15H,3-6,9H2,(H,19,20)(H2,17,18,21)
InChIKeyPLDATDBCFKURKI-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid (CID 61480590) is 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is PLDATDBCFKURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(20)9-10-1-7-13(8-2-10)17-16(21)18-15(11-3-4-11)12-5-6-12/h1-2,7-8,11-12,15H,3-6,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid?
2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 61480590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).