4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

C15H21N3O2 — CID 72863932

IUPAC4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cc(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-2-11-5-10(6-14(19)17-11)15(20)18-7-12(9-3-4-9)13(16)8-18/h5-6,9,12-13H,2-4,7-8,16H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyUZBBRSQHAQKRPC-OLZOCXBDSA-N
MW275.35 g/mol
LogP0.75
Rot. Bonds3

About 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (PubChem CID 72863932) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
PubChem CID72863932
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cc(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-2-11-5-10(6-14(19)17-11)15(20)18-7-12(9-3-4-9)13(16)8-18/h5-6,9,12-13H,2-4,7-8,16H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyUZBBRSQHAQKRPC-OLZOCXBDSA-N
XLogP0.75
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (CID 72863932) is 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is CCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The InChIKey is UZBBRSQHAQKRPC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-11-5-10(6-14(19)17-11)15(20)18-7-12(9-3-4-9)13(16)8-18/h5-6,9,12-13H,2-4,7-8,16H2,1H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 72863932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).