3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride

C17H24ClN3O — CID 120761134

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CN(C2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O.ClH/c18-15-11-19(10-14(15)12-4-2-1-3-5-12)16-8-9-20(17(16)21)13-6-7-13;/h1-5,13-16H,6-11,18H2;1H/t14-,15+,16?;/m0./s1
InChIKeyCJTCSLWDAQOMSP-NKZKTGFWSA-N
MW321.85 g/mol
LogP1.60
Rot. Bonds3

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride (PubChem CID 120761134) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride
PubChem CID120761134
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CN(C2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C17H23N3O.ClH/c18-15-11-19(10-14(15)12-4-2-1-3-5-12)16-8-9-20(17(16)21)13-6-7-13;/h1-5,13-16H,6-11,18H2;1H/t14-,15+,16?;/m0./s1
InChIKeyCJTCSLWDAQOMSP-NKZKTGFWSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120761126
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120760329
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 120761777
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(2,6-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 120759804
1-cyclopropyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyrrolidin-2-one
CID 75424290
(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine
CID 114263379
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120759279
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
2-(3-amino-4-phenylpiperidin-1-yl)acetic acid
CID 174681284
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride (CID 120761134) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride is Cl.N[C@@H]1CN(C2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride?
The InChIKey is CJTCSLWDAQOMSP-NKZKTGFWSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c18-15-11-19(10-14(15)12-4-2-1-3-5-12)16-8-9-20(17(16)21)13-6-7-13;/h1-5,13-16H,6-11,18H2;1H/t14-,15+,16?;/m0./s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120761134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).