4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid

C11H20N2O4 — CID 102865736

IUPAC4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCO)C1CCC1
InChIInChI=1S/C11H20N2O4/c14-8-7-13(9-3-1-4-9)11(17)12-6-2-5-10(15)16/h9,14H,1-8H2,(H,12,17)(H,15,16)
InChIKeyAZJLOKSIFVDDSG-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds7

About 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid

4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 102865736) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
PubChem CID102865736
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCO)C1CCC1
InChIInChI=1S/C11H20N2O4/c14-8-7-13(9-3-1-4-9)11(17)12-6-2-5-10(15)16/h9,14H,1-8H2,(H,12,17)(H,15,16)
InChIKeyAZJLOKSIFVDDSG-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
CID 102865277
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686476
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841430
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
4-[[cyclopropyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 122021913
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid (CID 102865736) is 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid is O=C(O)CCCNC(=O)N(CCO)C1CCC1.
What is the InChIKey of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is AZJLOKSIFVDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-8-7-13(9-3-1-4-9)11(17)12-6-2-5-10(15)16/h9,14H,1-8H2,(H,12,17)(H,15,16).
What are the key properties of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid?
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 102865736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).