cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid

C17H20N2O5 — CID 66860626

IUPACcis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1
InChIInChI=1S/C17H20N2O5/c20-13-5-3-11(12-4-6-15(22)19-16(12)13)14(21)8-18-10-2-1-9(7-10)17(23)24/h3-6,9-10,14,18,20-21H,1-2,7-8H2,(H,19,22)(H,23,24)/t9-,10+,14+/m1/s1
InChIKeyWKZKUKKIRXLQRD-BFVZDQMLSA-N
MW332.36 g/mol
LogP1.11
Rot. Bonds5

About cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66860626) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66860626
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namecis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1
InChIInChI=1S/C17H20N2O5/c20-13-5-3-11(12-4-6-15(22)19-16(12)13)14(21)8-18-10-2-1-9(7-10)17(23)24/h3-6,9-10,14,18,20-21H,1-2,7-8H2,(H,19,22)(H,23,24)/t9-,10+,14+/m1/s1
InChIKeyWKZKUKKIRXLQRD-BFVZDQMLSA-N
XLogP1.11
TPSA122.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]ethyl]-1H-quinolin-2-one
CID 11266679
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 68559129
5-[(1R)-2-[[5-ethyl-6-(2,2,2-trideuterioethyl)-2,3-dihydro-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 163322006
(Z)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid
CID 68877012
N-[2-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 24995829
N-(1-adamantylmethyl)-3-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 24994271
N-[(2-chlorophenyl)methyl]-3-[4-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 68926633
8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one
CID 90853876
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
CID 151406566
5-[(1R)-2-[(2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 11405892

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid (CID 66860626) is cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WKZKUKKIRXLQRD-BFVZDQMLSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-13-5-3-11(12-4-6-15(22)19-16(12)13)14(21)8-18-10-2-1-9(7-10)17(23)24/h3-6,9-10,14,18,20-21H,1-2,7-8H2,(H,19,22)(H,23,24)/t9-,10+,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66860626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).