2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid

C19H22FN3O2 — CID 152583849

IUPAC2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
SMILESCC(C(=O)O)N1CC2CC(Nc3ccnc4ccc(F)cc34)CC2C1
InChIInChI=1S/C19H22FN3O2/c1-11(19(24)25)23-9-12-6-15(7-13(12)10-23)22-18-4-5-21-17-3-2-14(20)8-16(17)18/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,21,22)(H,24,25)
InChIKeyYUAQCXXKWSAZKQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.97
Rot. Bonds4

About 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid

2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid (PubChem CID 152583849) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
PubChem CID152583849
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
SMILESCC(C(=O)O)N1CC2CC(Nc3ccnc4ccc(F)cc34)CC2C1
InChIInChI=1S/C19H22FN3O2/c1-11(19(24)25)23-9-12-6-15(7-13(12)10-23)22-18-4-5-21-17-3-2-14(20)8-16(17)18/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,21,22)(H,24,25)
InChIKeyYUAQCXXKWSAZKQ-UHFFFAOYSA-N
XLogP2.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[6-[(6-fluoroquinolin-4-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(3-methoxyphenyl)butan-2-one
CID 163601800
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide
CID 155087641
6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline
CID 166682821
3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide
CID 171472450
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine
CID 133348527
propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 133388898
methyl (2R)-2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoate
CID 155016560

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid?
The IUPAC name of 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid (CID 152583849) is 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid is CC(C(=O)O)N1CC2CC(Nc3ccnc4ccc(F)cc34)CC2C1.
What is the InChIKey of 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid?
The InChIKey is YUAQCXXKWSAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-11(19(24)25)23-9-12-6-15(7-13(12)10-23)22-18-4-5-21-17-3-2-14(20)8-16(17)18/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid?
2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid has a molecular weight of 343.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 152583849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).