(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid

C11H13N5O3 — CID 175107921

IUPAC(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESCOc1nc(N[C@@H]2CCN(C(=O)O)C2)ncc1C#N
InChIInChI=1S/C11H13N5O3/c1-19-9-7(4-12)5-13-10(15-9)14-8-2-3-16(6-8)11(17)18/h5,8H,2-3,6H2,1H3,(H,17,18)(H,13,14,15)/t8-/m1/s1
InChIKeyGSSOUEZWUUZJAI-MRVPVSSYSA-N
MW263.26 g/mol
LogP0.52
Rot. Bonds3

About (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid

(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 175107921) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID175107921
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESCOc1nc(N[C@@H]2CCN(C(=O)O)C2)ncc1C#N
InChIInChI=1S/C11H13N5O3/c1-19-9-7(4-12)5-13-10(15-9)14-8-2-3-16(6-8)11(17)18/h5,8H,2-3,6H2,1H3,(H,17,18)(H,13,14,15)/t8-/m1/s1
InChIKeyGSSOUEZWUUZJAI-MRVPVSSYSA-N
XLogP0.52
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-5-carbonitrile;2,2,2-trifluoroacetic acid
CID 172726337
(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175353031
N-[4-[(3R)-3-[(5-ethynyl-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314025
N-[4-[3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]but-2-ynamide
CID 153314142
(5-amino-2-pyridinyl)-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 147235702
N-[2-[(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1,3-benzothiazol-5-yl]prop-2-enamide
CID 168827272
N-[6-[(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-methylpyrazolo[4,3-c]pyridin-3-yl]prop-2-enamide
CID 168827414
2-bromo-N-[6-[(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-methylpyrazolo[4,3-c]pyridin-3-yl]butanamide
CID 168827162
(3R)-3-[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylic acid
CID 155253964
[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 175763507
1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 170364307
N-[2-[(1S,3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]cyclohexyl]-3-oxo-1H-isoindol-5-yl]-N-methylprop-2-enamide
CID 168827232

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (CID 175107921) is (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is COc1nc(N[C@@H]2CCN(C(=O)O)C2)ncc1C#N.
What is the InChIKey of (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is GSSOUEZWUUZJAI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-19-9-7(4-12)5-13-10(15-9)14-8-2-3-16(6-8)11(17)18/h5,8H,2-3,6H2,1H3,(H,17,18)(H,13,14,15)/t8-/m1/s1.
What are the key properties of (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175107921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).