2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid

C19H24N2O6 — CID 125148297

IUPAC2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OCC(=O)O
InChIInChI=1S/C19H24N2O6/c1-3-26-16-7-12(4-5-15(16)27-10-18(23)24)19(25)20-13-8-17(22)21(9-13)14-6-11(14)2/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3,(H,20,25)(H,23,24)/t11-,13+,14-/m0/s1
InChIKeyAYJNNNBZGZAGRN-YUTCNCBUSA-N
MW376.41 g/mol
LogP1.29
Rot. Bonds8

About 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 125148297) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
PubChem CID125148297
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OCC(=O)O
InChIInChI=1S/C19H24N2O6/c1-3-26-16-7-12(4-5-15(16)27-10-18(23)24)19(25)20-13-8-17(22)21(9-13)14-6-11(14)2/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3,(H,20,25)(H,23,24)/t11-,13+,14-/m0/s1
InChIKeyAYJNNNBZGZAGRN-YUTCNCBUSA-N
XLogP1.29
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid
CID 119185113
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
2-[2-ethoxy-4-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 125131613
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 119187118
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid (CID 125148297) is 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is AYJNNNBZGZAGRN-YUTCNCBUSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-3-26-16-7-12(4-5-15(16)27-10-18(23)24)19(25)20-13-8-17(22)21(9-13)14-6-11(14)2/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3,(H,20,25)(H,23,24)/t11-,13+,14-/m0/s1.
What are the key properties of 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 376.41 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 125148297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).