2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride

C12H17Cl2N3O — CID 119933944

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
SMILESCl.N[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClN3O.ClH/c13-9-2-1-3-11(6-9)15-12(17)8-16-5-4-10(14)7-16;/h1-3,6,10H,4-5,7-8,14H2,(H,15,17);1H/t10-;/m0./s1
InChIKeyRSFVOGPRAPYJDA-PPHPATTJSA-N
MW290.19 g/mol
LogP1.73
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride (PubChem CID 119933944) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
PubChem CID119933944
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
SMILESCl.N[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClN3O.ClH/c13-9-2-1-3-11(6-9)15-12(17)8-16-5-4-10(14)7-16;/h1-3,6,10H,4-5,7-8,14H2,(H,15,17);1H/t10-;/m0./s1
InChIKeyRSFVOGPRAPYJDA-PPHPATTJSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride (CID 119933944) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride is Cl.N[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
The InChIKey is RSFVOGPRAPYJDA-PPHPATTJSA-N. The full InChI is InChI=1S/C12H16ClN3O.ClH/c13-9-2-1-3-11(6-9)15-12(17)8-16-5-4-10(14)7-16;/h1-3,6,10H,4-5,7-8,14H2,(H,15,17);1H/t10-;/m0./s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119933944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).