5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide

C18H27N3O2 — CID 120747868

IUPAC5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-2-11-20-17(22)9-6-10-18(23)21-12-15(16(19)13-21)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyRBBKWNBSJVXIJQ-JKSUJKDBSA-N
MW317.43 g/mol
LogP1.64
Rot. Bonds7

About 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide

5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide (PubChem CID 120747868) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide.

Molecular Properties

Compound Name5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide
PubChem CID120747868
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-2-11-20-17(22)9-6-10-18(23)21-12-15(16(19)13-21)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyRBBKWNBSJVXIJQ-JKSUJKDBSA-N
XLogP1.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-ethyl-5-oxopentanamide
CID 120745733
N-[6-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-6-oxohexyl]acetamide
CID 120750320
N-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-3-methylbutanamide;hydrochloride
CID 120748435
N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 120746354
N-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 120748609
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120749123
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-butoxyethanone
CID 120748544
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-ethylsulfonylethanone;hydrochloride
CID 120747325
N-[3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-oxopropyl]cyclohexanecarboxamide;hydrochloride
CID 120747837

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide?
The IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide (CID 120747868) is 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide.
What is the SMILES notation for 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide?
The canonical SMILES for 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide is CCCNC(=O)CCCC(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide?
The InChIKey is RBBKWNBSJVXIJQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-11-20-17(22)9-6-10-18(23)21-12-15(16(19)13-21)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide?
5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide has a molecular weight of 317.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide is sourced from PubChem (CID 120747868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).