1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide

C14H22N2O3 — CID 72858255

IUPAC1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C14H22N2O3/c1-9-7-16(8-14(9,19)10-3-2-4-10)12(18)13(5-6-13)11(15)17/h9-10,19H,2-8H2,1H3,(H2,15,17)/t9-,14+/m1/s1
InChIKeyFCGIJMVMOGPTFK-OTYXRUKQSA-N
MW266.34 g/mol
LogP0.26
Rot. Bonds3

About 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide

1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 72858255) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID72858255
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C14H22N2O3/c1-9-7-16(8-14(9,19)10-3-2-4-10)12(18)13(5-6-13)11(15)17/h9-10,19H,2-8H2,1H3,(H2,15,17)/t9-,14+/m1/s1
InChIKeyFCGIJMVMOGPTFK-OTYXRUKQSA-N
XLogP0.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-3-methylbut-2-en-1-one
CID 72865072
1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 156603307
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 72908895
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 70769411
1,3-benzothiazol-6-yl-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 70762472
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-4-(tetrazol-1-yl)butan-1-one
CID 72915836
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496
[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone
CID 72849140
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopropane-1-carbothioamide
CID 115559910
(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 78083993
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 72927339

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide (CID 72858255) is 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide is C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]1(O)C1CCC1.
What is the InChIKey of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is FCGIJMVMOGPTFK-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-16(8-14(9,19)10-3-2-4-10)12(18)13(5-6-13)11(15)17/h9-10,19H,2-8H2,1H3,(H2,15,17)/t9-,14+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72858255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).