1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid

C13H21N3O5 — CID 83104275

IUPAC1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)C1COCCN1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-2-14-11(17)10-8-21-6-5-16(10)13(20)15-4-3-9(7-15)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyKPCPKOBLUODSIP-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.65
Rot. Bonds3

About 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid

1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 83104275) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID83104275
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)C1COCCN1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-2-14-11(17)10-8-21-6-5-16(10)13(20)15-4-3-9(7-15)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyKPCPKOBLUODSIP-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 104774795
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide
CID 104901407
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
CID 112626971
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 83104275) is 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid is CCNC(=O)C1COCCN1C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KPCPKOBLUODSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-2-14-11(17)10-8-21-6-5-16(10)13(20)15-4-3-9(7-15)12(18)19/h9-10H,2-8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83104275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).