(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid

C15H17N5O2 — CID 95199285

IUPAC(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCN(Cc2cnc(-c3ccccn3)nc2)C1
InChIInChI=1S/C15H17N5O2/c16-15(14(21)22)4-6-20(10-15)9-11-7-18-13(19-8-11)12-3-1-2-5-17-12/h1-3,5,7-8H,4,6,9-10,16H2,(H,21,22)/t15-/m0/s1
InChIKeyWDQWKHLWULDOOO-HNNXBMFYSA-N
MW299.33 g/mol
LogP0.53
Rot. Bonds4

About (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid

(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 95199285) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID95199285
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCN(Cc2cnc(-c3ccccn3)nc2)C1
InChIInChI=1S/C15H17N5O2/c16-15(14(21)22)4-6-20(10-15)9-11-7-18-13(19-8-11)12-3-1-2-5-17-12/h1-3,5,7-8H,4,6,9-10,16H2,(H,21,22)/t15-/m0/s1
InChIKeyWDQWKHLWULDOOO-HNNXBMFYSA-N
XLogP0.53
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
(3S)-3-amino-1-[(3,5-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 95206566
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 107324258
3-amino-1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107321157
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
3-amino-1-[(3-chloro-4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321061

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid (CID 95199285) is (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid is N[C@@]1(C(=O)O)CCN(Cc2cnc(-c3ccccn3)nc2)C1.
What is the InChIKey of (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WDQWKHLWULDOOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-15(14(21)22)4-6-20(10-15)9-11-7-18-13(19-8-11)12-3-1-2-5-17-12/h1-3,5,7-8H,4,6,9-10,16H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid?
(3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95199285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).