(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride

C16H24ClN3O2 — CID 119303606

IUPAC(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(17)16(21)18-14-7-4-13(5-8-14)6-9-15(20)19-10-2-3-11-19;/h4-5,7-8,12H,2-3,6,9-11,17H2,1H3,(H,18,21);1H/t12-;/m0./s1
InChIKeyUBQBMCWMUHLWHT-YDALLXLXSA-N
MW325.84 g/mol
LogP1.95
Rot. Bonds5

About (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride (PubChem CID 119303606) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
PubChem CID119303606
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(17)16(21)18-14-7-4-13(5-8-14)6-9-15(20)19-10-2-3-11-19;/h4-5,7-8,12H,2-3,6,9-11,17H2,1H3,(H,18,21);1H/t12-;/m0./s1
InChIKeyUBQBMCWMUHLWHT-YDALLXLXSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
CID 119749397
2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119303626
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119303616
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
CID 119860866
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609116
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
cis-(1R,3S)-2,2-dimethyl-3-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122099603
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383
1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride (CID 119303606) is (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride?
The InChIKey is UBQBMCWMUHLWHT-YDALLXLXSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(17)16(21)18-14-7-4-13(5-8-14)6-9-15(20)19-10-2-3-11-19;/h4-5,7-8,12H,2-3,6,9-11,17H2,1H3,(H,18,21);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119303606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).