(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide

C18H25N3O3 — CID 56706337

IUPAC(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-2-20-18(24)15-11-14(19)12-21(15)17(23)10-6-9-16(22)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,19H2,1H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyCLEYFMHSXXUDQI-GJZGRUSLSA-N
MW331.42 g/mol
LogP1.10
Rot. Bonds7

About (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide (PubChem CID 56706337) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide
PubChem CID56706337
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-2-20-18(24)15-11-14(19)12-21(15)17(23)10-6-9-16(22)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,19H2,1H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyCLEYFMHSXXUDQI-GJZGRUSLSA-N
XLogP1.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-amino-N-ethyl-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidine-2-carboxamide
CID 56713745
(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,4R)-4-amino-1-[3-(3,4-dimethylphenyl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 56716684
(2S,4S)-4-amino-N-ethyl-1-[4-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 56708997
(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 56722117
(2S,4S)-4-amino-N-ethyl-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 70764212
(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide
CID 56706520
(2S,4R)-4-amino-N-ethyl-1-[3-(1-methylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154895606
(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide
CID 56721566
(2S,4R)-4-amino-1-(3-benzylsulfanylpropanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 70745968
(2S,4R)-4-amino-N-ethyl-1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]benzoyl]pyrrolidine-2-carboxamide
CID 168742957
(2S,4S)-4-amino-N-ethyl-1-[[2-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 56713290

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide (CID 56706337) is (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The InChIKey is CLEYFMHSXXUDQI-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-20-18(24)15-11-14(19)12-21(15)17(23)10-6-9-16(22)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,19H2,1H3,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56706337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).