2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide

C18H25N3O3 — CID 10640260

IUPAC2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)C(=O)NC1CC1
InChIInChI=1S/C18H25N3O3/c19-14(11-12-5-2-1-3-6-12)18(24)21-10-4-7-15(21)16(22)17(23)20-13-8-9-13/h1-3,5-6,13-16,22H,4,7-11,19H2,(H,20,23)/t14-,15-,16?/m0/s1
InChIKeyNUQLFNKPMHFJHG-KSCSMHSMSA-N
MW331.42 g/mol
LogP0.19
Rot. Bonds6

About 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide

2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 10640260) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID10640260
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)C(=O)NC1CC1
InChIInChI=1S/C18H25N3O3/c19-14(11-12-5-2-1-3-6-12)18(24)21-10-4-7-15(21)16(22)17(23)20-13-8-9-13/h1-3,5-6,13-16,22H,4,7-11,19H2,(H,20,23)/t14-,15-,16?/m0/s1
InChIKeyNUQLFNKPMHFJHG-KSCSMHSMSA-N
XLogP0.19
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide with MolForge

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Related Compounds

2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cycloheptyl-2-hydroxyacetamide
CID 10596394
[1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-2-(cycloheptylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 70208709
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-3-phenylpropan-1-one
CID 117045939
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
N-[(2S)-1-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]quinoline-2-carboxamide
CID 57017062
tert-butyl N-[(2S)-1-[2-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 57182376
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
benzyl N-[(2S)-1-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56985401
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 10640260) is 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide is N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)C(=O)NC1CC1.
What is the InChIKey of 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is NUQLFNKPMHFJHG-KSCSMHSMSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-14(11-12-5-2-1-3-6-12)18(24)21-10-4-7-15(21)16(22)17(23)20-13-8-9-13/h1-3,5-6,13-16,22H,4,7-11,19H2,(H,20,23)/t14-,15-,16?/m0/s1.
What are the key properties of 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide?
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 331.42 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 10640260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).