3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

C12H23ClN2O2 — CID 120944731

IUPAC3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
SMILESCl.O=C(CCC1CCC1)NCC1CNCC1O
InChIInChI=1S/C12H22N2O2.ClH/c15-11-8-13-6-10(11)7-14-12(16)5-4-9-2-1-3-9;/h9-11,13,15H,1-8H2,(H,14,16);1H
InChIKeyUCRDOBPJBFVOSF-UHFFFAOYSA-N
MW262.78 g/mol
LogP0.69
Rot. Bonds5

About 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (PubChem CID 120944731) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
PubChem CID120944731
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
SMILESCl.O=C(CCC1CCC1)NCC1CNCC1O
InChIInChI=1S/C12H22N2O2.ClH/c15-11-8-13-6-10(11)7-14-12(16)5-4-9-2-1-3-9;/h9-11,13,15H,1-8H2,(H,14,16);1H
InChIKeyUCRDOBPJBFVOSF-UHFFFAOYSA-N
XLogP0.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 120945798
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 120946529
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943963
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide
CID 120945743
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948869
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 120944233
4-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxobutanamide
CID 120945324

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (CID 120944731) is 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is Cl.O=C(CCC1CCC1)NCC1CNCC1O.
What is the InChIKey of 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is UCRDOBPJBFVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c15-11-8-13-6-10(11)7-14-12(16)5-4-9-2-1-3-9;/h9-11,13,15H,1-8H2,(H,14,16);1H.
What are the key properties of 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120944731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).