2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid

C14H19ClN2O4 — CID 66422545

IUPAC2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)n1cc(Cl)cc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H19ClN2O4/c1-9(2)17-7-10(15)5-12(17)14(20)16-3-4-21-11(8-16)6-13(18)19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyGEZQGAIPSINZAQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66422545) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66422545
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)n1cc(Cl)cc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H19ClN2O4/c1-9(2)17-7-10(15)5-12(17)14(20)16-3-4-21-11(8-16)6-13(18)19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyGEZQGAIPSINZAQ-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515439
2-[1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690247
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[(2S)-4-(4-bromo-1-ethylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515313
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263597
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974783
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(4-amino-3-methylpiperidin-1-yl)-(4-chloro-1-propan-2-ylpyrrol-2-yl)methanone
CID 79868416
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid (CID 66422545) is 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid is CC(C)n1cc(Cl)cc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is GEZQGAIPSINZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-9(2)17-7-10(15)5-12(17)14(20)16-3-4-21-11(8-16)6-13(18)19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66422545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).