2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid

C14H17NO2 — CID 82390555

IUPAC2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
SMILESO=C(O)CC1CCN2c3ccccc3CCC12
InChIInChI=1S/C14H17NO2/c16-14(17)9-11-7-8-15-12-4-2-1-3-10(12)5-6-13(11)15/h1-4,11,13H,5-9H2,(H,16,17)
InChIKeyDOYPCSZMRKZGKB-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.30
Rot. Bonds2

About 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid

2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid (PubChem CID 82390555) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
PubChem CID82390555
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
SMILESO=C(O)CC1CCN2c3ccccc3CCC12
InChIInChI=1S/C14H17NO2/c16-14(17)9-11-7-8-15-12-4-2-1-3-10(12)5-6-13(11)15/h1-4,11,13H,5-9H2,(H,16,17)
InChIKeyDOYPCSZMRKZGKB-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol
CID 82404420
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 82411355
2-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-yl]acetic acid
CID 22998296
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
2-(1-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 173357545
2-(3-benzyl-1-methylpiperidin-4-yl)acetic acid
CID 21426503
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-[(3S)-1,2-diphenylpyrrolidin-3-yl]acetamide
CID 68947997
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
CID 132771919
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid?
The IUPAC name of 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid (CID 82390555) is 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid is O=C(O)CC1CCN2c3ccccc3CCC12.
What is the InChIKey of 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid?
The InChIKey is DOYPCSZMRKZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)9-11-7-8-15-12-4-2-1-3-10(12)5-6-13(11)15/h1-4,11,13H,5-9H2,(H,16,17).
What are the key properties of 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid?
2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid has a molecular weight of 231.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid is sourced from PubChem (CID 82390555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).