2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid

C12H19N3O5 — CID 83095359

IUPAC2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESNC(=O)C1COCCN1C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C12H19N3O5/c13-11(18)9-7-20-4-3-15(9)12(19)14-2-1-8(6-14)5-10(16)17/h8-9H,1-7H2,(H2,13,18)(H,16,17)
InChIKeyUHUKUDRYTSNHCR-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.91
Rot. Bonds3

About 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83095359) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID83095359
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESNC(=O)C1COCCN1C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C12H19N3O5/c13-11(18)9-7-20-4-3-15(9)12(19)14-2-1-8(6-14)5-10(16)17/h8-9H,1-7H2,(H2,13,18)(H,16,17)
InChIKeyUHUKUDRYTSNHCR-UHFFFAOYSA-N
XLogP-0.91
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid
CID 83098734
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 81204512
2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617831
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001
2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 83104275
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid (CID 83095359) is 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid is NC(=O)C1COCCN1C(=O)N1CCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is UHUKUDRYTSNHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c13-11(18)9-7-20-4-3-15(9)12(19)14-2-1-8(6-14)5-10(16)17/h8-9H,1-7H2,(H2,13,18)(H,16,17).
What are the key properties of 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83095359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).