2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid

C13H23N3O4 — CID 79846735

IUPAC2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCN2CCOCC2)CCC1
InChIInChI=1S/C13H23N3O4/c17-11(18)10-13(2-1-3-13)15-12(19)14-4-5-16-6-8-20-9-7-16/h1-10H2,(H,17,18)(H2,14,15,19)
InChIKeyPWAVWIUMDYGNFJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.02
Rot. Bonds6

About 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79846735) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79846735
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCN2CCOCC2)CCC1
InChIInChI=1S/C13H23N3O4/c17-11(18)10-13(2-1-3-13)15-12(19)14-4-5-16-6-8-20-9-7-16/h1-10H2,(H,17,18)(H2,14,15,19)
InChIKeyPWAVWIUMDYGNFJ-UHFFFAOYSA-N
XLogP0.02
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-(1-phenylcyclobutyl)urea
CID 113216911
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
2-[2-(2-morpholin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79463716
2-[[(E)-4-(2-morpholin-4-ylethylamino)-4-oxobut-2-enoyl]amino]acetic acid
CID 100926424
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79850980
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid
CID 83020209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid (CID 79846735) is 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NCCN2CCOCC2)CCC1.
What is the InChIKey of 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is PWAVWIUMDYGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-11(18)10-13(2-1-3-13)15-12(19)14-4-5-16-6-8-20-9-7-16/h1-10H2,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79846735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).