6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid

C14H18N2O4 — CID 150727225

IUPAC6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(N2CC[C@H](O)C2)c(C2CC2)nc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11-6-10(16-5-4-9(17)7-16)12(8-2-3-8)15-13(11)14(18)19/h6,8-9,17H,2-5,7H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyJRBUCOLZQRJPSN-VIFPVBQESA-N
MW278.31 g/mol
LogP1.24
Rot. Bonds4

About 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid

6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid (PubChem CID 150727225) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid
PubChem CID150727225
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(N2CC[C@H](O)C2)c(C2CC2)nc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11-6-10(16-5-4-9(17)7-16)12(8-2-3-8)15-13(11)14(18)19/h6,8-9,17H,2-5,7H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyJRBUCOLZQRJPSN-VIFPVBQESA-N
XLogP1.24
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
CID 154126270
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
2-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]guanidine
CID 178090277
(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 168941013
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
1-(3,5-diamino-6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 23064315
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid (CID 150727225) is 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid is COc1cc(N2CC[C@H](O)C2)c(C2CC2)nc1C(=O)O.
What is the InChIKey of 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid?
The InChIKey is JRBUCOLZQRJPSN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-11-6-10(16-5-4-9(17)7-16)12(8-2-3-8)15-13(11)14(18)19/h6,8-9,17H,2-5,7H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid?
6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 150727225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).