2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid

C16H19NO3 — CID 120537806

IUPAC2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H19NO3/c18-14(19)9-10-1-7-13(8-2-10)17-16(20)15(11-3-4-11)12-5-6-12/h1-2,7-8,11-12,15H,3-6,9H2,(H,17,20)(H,18,19)
InChIKeyQPFVLFNSNBGGOK-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid

2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid (PubChem CID 120537806) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid
PubChem CID120537806
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H19NO3/c18-14(19)9-10-1-7-13(8-2-10)17-16(20)15(11-3-4-11)12-5-6-12/h1-2,7-8,11-12,15H,3-6,9H2,(H,17,20)(H,18,19)
InChIKeyQPFVLFNSNBGGOK-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(dicyclopropylmethylcarbamoylamino)phenyl]acetic acid
CID 61480590
4-[4-[(2,2-dicyclopropylacetyl)amino]phenoxy]butanoic acid
CID 120530788
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 64822057
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid (CID 120537806) is 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C(C2CC2)C2CC2)cc1.
What is the InChIKey of 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid?
The InChIKey is QPFVLFNSNBGGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(19)9-10-1-7-13(8-2-10)17-16(20)15(11-3-4-11)12-5-6-12/h1-2,7-8,11-12,15H,3-6,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid?
2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 120537806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).