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

C12H15ClN4O3 — CID 175353031

IUPAC(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](Nc2ncc(Cl)c(OC3CC3)n2)C1
InChIInChI=1S/C12H15ClN4O3/c13-9-5-14-11(16-10(9)20-8-1-2-8)15-7-3-4-17(6-7)12(18)19/h5,7-8H,1-4,6H2,(H,18,19)(H,14,15,16)/t7-/m1/s1
InChIKeyDEWNXHVPQGLKKG-SSDOTTSWSA-N
MW298.73 g/mol
LogP1.84
Rot. Bonds4

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

(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 175353031) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID175353031
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](Nc2ncc(Cl)c(OC3CC3)n2)C1
InChIInChI=1S/C12H15ClN4O3/c13-9-5-14-11(16-10(9)20-8-1-2-8)15-7-3-4-17(6-7)12(18)19/h5,7-8H,1-4,6H2,(H,18,19)(H,14,15,16)/t7-/m1/s1
InChIKeyDEWNXHVPQGLKKG-SSDOTTSWSA-N
XLogP1.84
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175107921
tert-butyl 3-[(4-cyclopropyloxy-5-fluoropyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175113338
4-[[4-[(3S)-oxolan-3-yl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 170429987
(5-amino-2-pyridinyl)-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 147235702
tert-butyl 3-[[5-chloro-4-(dimethylamino)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 175105607
(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
CID 175112617
N-[4-[3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314257
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 175763507
N-[4-[3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]but-2-ynamide
CID 153314142
4-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carbonyl]piperidine-1-carboxylic acid
CID 118417746
[(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[3-[2-(dimethylamino)ethoxy]-4-nitrophenyl]methanone
CID 151043893

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (CID 175353031) is (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](Nc2ncc(Cl)c(OC3CC3)n2)C1.
What is the InChIKey of (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is DEWNXHVPQGLKKG-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c13-9-5-14-11(16-10(9)20-8-1-2-8)15-7-3-4-17(6-7)12(18)19/h5,7-8H,1-4,6H2,(H,18,19)(H,14,15,16)/t7-/m1/s1.
What are the key properties of (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175353031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).