5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one

C10H12N2O3 — CID 94339974

IUPAC5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
SMILESN[C@@H]1CCN(C(=O)c2ccc(=O)oc2)C1
InChIInChI=1S/C10H12N2O3/c11-8-3-4-12(5-8)10(14)7-1-2-9(13)15-6-7/h1-2,6,8H,3-5,11H2/t8-/m1/s1
InChIKeyMPJDZGGNANBXHA-MRVPVSSYSA-N
MW208.22 g/mol
LogP-0.19
Rot. Bonds1

About 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one

5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one (PubChem CID 94339974) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
PubChem CID94339974
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
SMILESN[C@@H]1CCN(C(=O)c2ccc(=O)oc2)C1
InChIInChI=1S/C10H12N2O3/c11-8-3-4-12(5-8)10(14)7-1-2-9(13)15-6-7/h1-2,6,8H,3-5,11H2/t8-/m1/s1
InChIKeyMPJDZGGNANBXHA-MRVPVSSYSA-N
XLogP-0.19
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
5-(3-methylpiperazine-1-carbonyl)pyran-2-one
CID 65447478
5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
CID 115307125
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one (CID 94339974) is 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one is N[C@@H]1CCN(C(=O)c2ccc(=O)oc2)C1.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one?
The InChIKey is MPJDZGGNANBXHA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8-3-4-12(5-8)10(14)7-1-2-9(13)15-6-7/h1-2,6,8H,3-5,11H2/t8-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one?
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 94339974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).