2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C19H26N2O5 — CID 164691394

IUPAC2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESC[C@@]1(O)CCOC2(CCN(c3nc4c(cc3C(=O)O)CCC4)CC2)[C@H]1O
InChIInChI=1S/C19H26N2O5/c1-18(25)7-10-26-19(17(18)24)5-8-21(9-6-19)15-13(16(22)23)11-12-3-2-4-14(12)20-15/h11,17,24-25H,2-10H2,1H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyRLHBEAVTUKASFI-ZWKOTPCHSA-N
MW362.43 g/mol
LogP1.14
Rot. Bonds2

About 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 164691394) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID164691394
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESC[C@@]1(O)CCOC2(CCN(c3nc4c(cc3C(=O)O)CCC4)CC2)[C@H]1O
InChIInChI=1S/C19H26N2O5/c1-18(25)7-10-26-19(17(18)24)5-8-21(9-6-19)15-13(16(22)23)11-12-3-2-4-14(12)20-15/h11,17,24-25H,2-10H2,1H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyRLHBEAVTUKASFI-ZWKOTPCHSA-N
XLogP1.14
TPSA103.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703221
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62703000
2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 164689522
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
CID 137345511
2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 70765515
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115562370
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106316899
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 164695336
2-(2-methylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62711881
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264402

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 164691394) is 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is C[C@@]1(O)CCOC2(CCN(c3nc4c(cc3C(=O)O)CCC4)CC2)[C@H]1O.
What is the InChIKey of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is RLHBEAVTUKASFI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-18(25)7-10-26-19(17(18)24)5-8-21(9-6-19)15-13(16(22)23)11-12-3-2-4-14(12)20-15/h11,17,24-25H,2-10H2,1H3,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 164691394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).