3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H24N2O4 — CID 102865451

IUPAC3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NC(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H24N2O4/c18-7-6-17(11-2-1-3-11)15(21)16-13-10-5-4-9(8-10)12(13)14(19)20/h9-13,18H,1-8H2,(H,16,21)(H,19,20)
InChIKeyQOHHXPVUNPZGCV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.04
Rot. Bonds5

About 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 102865451) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID102865451
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NC(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H24N2O4/c18-7-6-17(11-2-1-3-11)15(21)16-13-10-5-4-9(8-10)12(13)14(19)20/h9-13,18H,1-8H2,(H,16,21)(H,19,20)
InChIKeyQOHHXPVUNPZGCV-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815568
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348
N-cyclobutyl-N-(2-hydroxyethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 102685011
3-(dimethylaminocarbamoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 83020284
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66674234
3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 107419885
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103790663
3-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 115986609
4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 102865464
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102865658

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 102865451) is 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1NC(=O)N(CCO)C1CCC1.
What is the InChIKey of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is QOHHXPVUNPZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-7-6-17(11-2-1-3-11)15(21)16-13-10-5-4-9(8-10)12(13)14(19)20/h9-13,18H,1-8H2,(H,16,21)(H,19,20).
What are the key properties of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 102865451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).