methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

C14H19ClN2O4 — CID 115971175

IUPACmethyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCn1cc(Cl)cc1C(=O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C14H19ClN2O4/c1-3-4-16-7-9(15)5-11(16)13(19)17-8-10(18)6-12(17)14(20)21-2/h5,7,10,12,18H,3-4,6,8H2,1-2H3
InChIKeyPAGMNVCHCQDQQK-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.30
Rot. Bonds4

About methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115971175) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115971175
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Namemethyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCn1cc(Cl)cc1C(=O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C14H19ClN2O4/c1-3-4-16-7-9(15)5-11(16)13(19)17-8-10(18)6-12(17)14(20)21-2/h5,7,10,12,18H,3-4,6,8H2,1-2H3
InChIKeyPAGMNVCHCQDQQK-UHFFFAOYSA-N
XLogP1.30
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001014
(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763816
(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102785689
(2S,4R)-1-(4-chloro-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741605
methyl 1-(5-chloro-2-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970982
(4-chloro-1-propylpyrrol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261068
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
methyl 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632513
(4-chloro-1-propylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550757
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970845
methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 112632486
methyl 4-hydroxy-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 112632394

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (CID 115971175) is methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is CCCn1cc(Cl)cc1C(=O)N1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is PAGMNVCHCQDQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-4-16-7-9(15)5-11(16)13(19)17-8-10(18)6-12(17)14(20)21-2/h5,7,10,12,18H,3-4,6,8H2,1-2H3.
What are the key properties of methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 314.77 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115971175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).