(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

C15H22ClN3O — CID 119849472

IUPAC(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESC[C@@H](N)C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C15H22ClN3O/c1-11(17)15(20)18-10-14(19-7-2-3-8-19)12-5-4-6-13(16)9-12/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3,(H,18,20)/t11-,14?/m1/s1
InChIKeyNAUMSPGRQIECHX-YNODCEANSA-N
MW295.81 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide

(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 119849472) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID119849472
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESC[C@@H](N)C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C15H22ClN3O/c1-11(17)15(20)18-10-14(19-7-2-3-8-19)12-5-4-6-13(16)9-12/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3,(H,18,20)/t11-,14?/m1/s1
InChIKeyNAUMSPGRQIECHX-YNODCEANSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110933948
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55841557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 119849472) is (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is C[C@@H](N)C(=O)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is NAUMSPGRQIECHX-YNODCEANSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(17)15(20)18-10-14(19-7-2-3-8-19)12-5-4-6-13(16)9-12/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3,(H,18,20)/t11-,14?/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide?
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 295.81 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 119849472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).