2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid

C14H17NO3 — CID 57015320

IUPAC2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid
SMILESO=C(O)CC1c2ccccc2OC2CCNCC21
InChIInChI=1S/C14H17NO3/c16-14(17)7-10-9-3-1-2-4-12(9)18-13-5-6-15-8-11(10)13/h1-4,10-11,13,15H,5-8H2,(H,16,17)
InChIKeyBNFQNXABSPWIKA-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.62
Rot. Bonds2

About 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid

2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid (PubChem CID 57015320) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid
PubChem CID57015320
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid
SMILESO=C(O)CC1c2ccccc2OC2CCNCC21
InChIInChI=1S/C14H17NO3/c16-14(17)7-10-9-3-1-2-4-12(9)18-13-5-6-15-8-11(10)13/h1-4,10-11,13,15H,5-8H2,(H,16,17)
InChIKeyBNFQNXABSPWIKA-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid?
The IUPAC name of 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid (CID 57015320) is 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid.
What is the SMILES notation for 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid?
The canonical SMILES for 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid is O=C(O)CC1c2ccccc2OC2CCNCC21.
What is the InChIKey of 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid?
The InChIKey is BNFQNXABSPWIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(17)7-10-9-3-1-2-4-12(9)18-13-5-6-15-8-11(10)13/h1-4,10-11,13,15H,5-8H2,(H,16,17).
What are the key properties of 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid?
2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid has a molecular weight of 247.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid is sourced from PubChem (CID 57015320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).