2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride

C15H22ClN3O2 — CID 119339216

IUPAC2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-10-14(19)17-13-8-9-18(11-13)15(20)7-6-12-4-2-1-3-5-12;/h1-5,13H,6-11,16H2,(H,17,19);1H
InChIKeyCJDYDCWUEOPWQB-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.72
Rot. Bonds5

About 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride

2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 119339216) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID119339216
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-10-14(19)17-13-8-9-18(11-13)15(20)7-6-12-4-2-1-3-5-12;/h1-5,13H,6-11,16H2,(H,17,19);1H
InChIKeyCJDYDCWUEOPWQB-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
CID 71854795
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride (CID 119339216) is 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride is Cl.NCC(=O)NC1CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is CJDYDCWUEOPWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-10-14(19)17-13-8-9-18(11-13)15(20)7-6-12-4-2-1-3-5-12;/h1-5,13H,6-11,16H2,(H,17,19);1H.
What are the key properties of 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119339216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).