2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid

C19H24N2O5 — CID 125178079

IUPAC2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid
SMILESCOc1ccc([C@@]2(C(=O)N3CCN(CC(=O)O)C(=O)C3)CC2(C)C)cc1
InChIInChI=1S/C19H24N2O5/c1-18(2)12-19(18,13-4-6-14(26-3)7-5-13)17(25)21-9-8-20(11-16(23)24)15(22)10-21/h4-7H,8-12H2,1-3H3,(H,23,24)/t19-/m1/s1
InChIKeyFAKQHYMMONFJJC-LJQANCHMSA-N
MW360.41 g/mol
LogP1.12
Rot. Bonds5

About 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid

2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid (PubChem CID 125178079) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid
PubChem CID125178079
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid
SMILESCOc1ccc([C@@]2(C(=O)N3CCN(CC(=O)O)C(=O)C3)CC2(C)C)cc1
InChIInChI=1S/C19H24N2O5/c1-18(2)12-19(18,13-4-6-14(26-3)7-5-13)17(25)21-9-8-20(11-16(23)24)15(22)10-21/h4-7H,8-12H2,1-3H3,(H,23,24)/t19-/m1/s1
InChIKeyFAKQHYMMONFJJC-LJQANCHMSA-N
XLogP1.12
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid (CID 125178079) is 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid is COc1ccc([C@@]2(C(=O)N3CCN(CC(=O)O)C(=O)C3)CC2(C)C)cc1.
What is the InChIKey of 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid?
The InChIKey is FAKQHYMMONFJJC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-18(2)12-19(18,13-4-6-14(26-3)7-5-13)17(25)21-9-8-20(11-16(23)24)15(22)10-21/h4-7H,8-12H2,1-3H3,(H,23,24)/t19-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid?
2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 125178079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).