4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid

C13H23N3O5 — CID 66241550

IUPAC4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(CN1CCOCC1)NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-9(6-16-2-4-20-5-3-16)14-13(19)15-11-8-21-7-10(11)12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyRBAIDRQRWQBIJY-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.89
Rot. Bonds5

About 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid

4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66241550) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66241550
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(CN1CCOCC1)NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-9(6-16-2-4-20-5-3-16)14-13(19)15-11-8-21-7-10(11)12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyRBAIDRQRWQBIJY-UHFFFAOYSA-N
XLogP-0.89
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
CID 128943207
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265729
(2R)-2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79011788
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 78972664
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
N-cyclopropyl-2-(1-morpholin-4-ylpropan-2-ylamino)propanamide
CID 54965360
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-(hex-1-yn-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 114161647
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326
5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 102706702

Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid (CID 66241550) is 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid is CC(CN1CCOCC1)NC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is RBAIDRQRWQBIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-9(6-16-2-4-20-5-3-16)14-13(19)15-11-8-21-7-10(11)12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66241550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).