4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid

C12H21N3O4 — CID 62636376

IUPAC4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCN2CCCC2)CCO1
InChIInChI=1S/C12H21N3O4/c16-11(17)10-9-15(7-8-19-10)12(18)13-3-6-14-4-1-2-5-14/h10H,1-9H2,(H,13,18)(H,16,17)
InChIKeyNOONBCFDOZZKDR-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.42
Rot. Bonds4

About 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid

4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid (PubChem CID 62636376) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
PubChem CID62636376
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCN2CCCC2)CCO1
InChIInChI=1S/C12H21N3O4/c16-11(17)10-9-15(7-8-19-10)12(18)13-3-6-14-4-1-2-5-14/h10H,1-9H2,(H,13,18)(H,16,17)
InChIKeyNOONBCFDOZZKDR-UHFFFAOYSA-N
XLogP-0.42
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
CID 92633187
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 106374354
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid (CID 62636376) is 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCCN2CCCC2)CCO1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid?
The InChIKey is NOONBCFDOZZKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c16-11(17)10-9-15(7-8-19-10)12(18)13-3-6-14-4-1-2-5-14/h10H,1-9H2,(H,13,18)(H,16,17).
What are the key properties of 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid?
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 62636376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).