(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid

C19H23N3O2 — CID 120511564

IUPAC(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H23N3O2/c23-19(24)17(12-15-6-2-1-3-7-15)20-13-16-8-9-18(21-14-16)22-10-4-5-11-22/h1-3,6-9,14,17,20H,4-5,10-13H2,(H,23,24)/t17-/m1/s1
InChIKeyRBMVFRZZEKBSOX-QGZVFWFLSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds7

About (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid

(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid (PubChem CID 120511564) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
PubChem CID120511564
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H23N3O2/c23-19(24)17(12-15-6-2-1-3-7-15)20-13-16-8-9-18(21-14-16)22-10-4-5-11-22/h1-3,6-9,14,17,20H,4-5,10-13H2,(H,23,24)/t17-/m1/s1
InChIKeyRBMVFRZZEKBSOX-QGZVFWFLSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
CID 67384624
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid (CID 120511564) is (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid is O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid?
The InChIKey is RBMVFRZZEKBSOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(24)17(12-15-6-2-1-3-7-15)20-13-16-8-9-18(21-14-16)22-10-4-5-11-22/h1-3,6-9,14,17,20H,4-5,10-13H2,(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid?
(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 120511564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).