N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide

C16H23N3O3 — CID 75009617

IUPACN-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1cc(O)cc(C)c1CC(N)C(=O)NC(=O)C1CCCN1
InChIInChI=1S/C16H23N3O3/c1-9-6-11(20)7-10(2)12(9)8-13(17)15(21)19-16(22)14-4-3-5-18-14/h6-7,13-14,18,20H,3-5,8,17H2,1-2H3,(H,19,21,22)
InChIKeyGFBBFYVDEYCNSD-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.27
Rot. Bonds4

About N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide

N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 75009617) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID75009617
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1cc(O)cc(C)c1CC(N)C(=O)NC(=O)C1CCCN1
InChIInChI=1S/C16H23N3O3/c1-9-6-11(20)7-10(2)12(9)8-13(17)15(21)19-16(22)14-4-3-5-18-14/h6-7,13-14,18,20H,3-5,8,17H2,1-2H3,(H,19,21,22)
InChIKeyGFBBFYVDEYCNSD-UHFFFAOYSA-N
XLogP0.27
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 91975220
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119309190
[(2R)-pyrrolidine-2-carbonyl]carbamic acid
CID 91322472
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
(2S)-2-amino-N-[4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]butyl]-3-phenylpropanamide
CID 10960900
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
CID 134345143
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-2-amino-N-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide (CID 75009617) is N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide is Cc1cc(O)cc(C)c1CC(N)C(=O)NC(=O)C1CCCN1.
What is the InChIKey of N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is GFBBFYVDEYCNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-9-6-11(20)7-10(2)12(9)8-13(17)15(21)19-16(22)14-4-3-5-18-14/h6-7,13-14,18,20H,3-5,8,17H2,1-2H3,(H,19,21,22).
What are the key properties of N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75009617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).