5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid

C15H15N3O3 — CID 81089954

IUPAC5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
SMILESN[C@@H](C(=O)NCc1ccc(C(=O)O)nc1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c16-13(11-4-2-1-3-5-11)14(19)18-9-10-6-7-12(15(20)21)17-8-10/h1-8,13H,9,16H2,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyHKJONHVNHMFVDH-CYBMUJFWSA-N
MW285.30 g/mol
LogP1.10
Rot. Bonds5

About 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81089954) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81089954
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
SMILESN[C@@H](C(=O)NCc1ccc(C(=O)O)nc1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c16-13(11-4-2-1-3-5-11)14(19)18-9-10-6-7-12(15(20)21)17-8-10/h1-8,13H,9,16H2,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyHKJONHVNHMFVDH-CYBMUJFWSA-N
XLogP1.10
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119835745
5-[[(2-iodophenyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090851
2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 119867241
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid (CID 81089954) is 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid is N[C@@H](C(=O)NCc1ccc(C(=O)O)nc1)c1ccccc1.
What is the InChIKey of 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HKJONHVNHMFVDH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-13(11-4-2-1-3-5-11)14(19)18-9-10-6-7-12(15(20)21)17-8-10/h1-8,13H,9,16H2,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81089954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).