(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid

C15H20N6O4 — CID 175336680

IUPAC(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid
SMILESNc1cc2oc(N3CCOCC3)nc2nc1N[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C15H20N6O4/c16-10-7-11-13(19-14(25-11)20-3-5-24-6-4-20)18-12(10)17-9-1-2-21(8-9)15(22)23/h7,9H,1-6,8,16H2,(H,17,18)(H,22,23)/t9-/m0/s1
InChIKeyDUKGIXOGJCKPTF-VIFPVBQESA-N
MW348.36 g/mol
LogP0.81
Rot. Bonds3

About (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid

(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 175336680) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID175336680
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid
SMILESNc1cc2oc(N3CCOCC3)nc2nc1N[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C15H20N6O4/c16-10-7-11-13(19-14(25-11)20-3-5-24-6-4-20)18-12(10)17-9-1-2-21(8-9)15(22)23/h7,9H,1-6,8,16H2,(H,17,18)(H,22,23)/t9-/m0/s1
InChIKeyDUKGIXOGJCKPTF-VIFPVBQESA-N
XLogP0.81
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804181
[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl] carbamate
CID 175005783
tert-butyl N-[(3R)-1-(2-morpholin-4-yl-6-nitro-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804142
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid
CID 122552575
(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 139461300
3-[(5-bromo-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 174193660
3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 175425604
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide;sulfane
CID 160845797
3-[(6-amino-2,3-dihydro-1,4-benzodioxin-5-yl)amino]azepane-1-carboxylic acid
CID 138674904
(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175353031

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid (CID 175336680) is (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid is Nc1cc2oc(N3CCOCC3)nc2nc1N[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is DUKGIXOGJCKPTF-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N6O4/c16-10-7-11-13(19-14(25-11)20-3-5-24-6-4-20)18-12(10)17-9-1-2-21(8-9)15(22)23/h7,9H,1-6,8,16H2,(H,17,18)(H,22,23)/t9-/m0/s1.
What are the key properties of (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid?
(3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175336680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).