methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate

C19H22N2O7 — CID 142869381

IUPACmethyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(OC3CCCC3)c2)C1=O
InChIInChI=1S/C19H22N2O7/c1-27-17(24)10-21-16(23)9-13(19(21)26)20-18(25)11-6-7-14(22)15(8-11)28-12-4-2-3-5-12/h6-8,12-13,22H,2-5,9-10H2,1H3,(H,20,25)/t13-/m0/s1
InChIKeyMAXYXBKBRPYPSS-ZDUSSCGKSA-N
MW390.39 g/mol
LogP0.74
Rot. Bonds6

About methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate

methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate (PubChem CID 142869381) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate
PubChem CID142869381
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Namemethyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(OC3CCCC3)c2)C1=O
InChIInChI=1S/C19H22N2O7/c1-27-17(24)10-21-16(23)9-13(19(21)26)20-18(25)11-6-7-14(22)15(8-11)28-12-4-2-3-5-12/h6-8,12-13,22H,2-5,9-10H2,1H3,(H,20,25)/t13-/m0/s1
InChIKeyMAXYXBKBRPYPSS-ZDUSSCGKSA-N
XLogP0.74
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide
CID 85102182
3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 67556598
3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 10255000
methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 70129962
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 161407996
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
CID 11744168

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate (CID 142869381) is methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate is COC(=O)CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(OC3CCCC3)c2)C1=O.
What is the InChIKey of methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate?
The InChIKey is MAXYXBKBRPYPSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-27-17(24)10-21-16(23)9-13(19(21)26)20-18(25)11-6-7-14(22)15(8-11)28-12-4-2-3-5-12/h6-8,12-13,22H,2-5,9-10H2,1H3,(H,20,25)/t13-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate?
methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate has a molecular weight of 390.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 142869381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).