(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid

C27H22N2O4 — CID 56777165

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid
SMILESO=C(N[C@H](Cc1ccc2ccccc2n1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H22N2O4/c30-26(31)25(15-18-14-13-17-7-1-6-12-24(17)28-18)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m1/s1
InChIKeyIDOMHXAHHXHYMO-RUZDIDTESA-N
MW438.48 g/mol
LogP4.77
Rot. Bonds6

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid (PubChem CID 56777165) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid
PubChem CID56777165
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid
SMILESO=C(N[C@H](Cc1ccc2ccccc2n1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H22N2O4/c30-26(31)25(15-18-14-13-17-7-1-6-12-24(17)28-18)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m1/s1
InChIKeyIDOMHXAHHXHYMO-RUZDIDTESA-N
XLogP4.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid with MolForge

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Related Compounds

N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan
CID 100107
(2R)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(6-fluoro-1H-indol-2-yl)propanoic Acid
CID 11510199
(2S)-3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CID 9849766
[(2-Cyclohexyl-quinoline-4-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 10272462
[(6,7-Dihydro-5H-13-aza-benzo[3,4]cyclohepta[1,2-b]naphthalene-8-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 11797202
2-[2-(Quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
CID 135338949
Fmoc-L-tryptophan
CID 978343
(3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 45486912
(2S)-3-(1H-indol-2-yl)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoic acid
CID 46216854
Phenyl-[(2-o-tolyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10501724
Fmoc-D-Trp-OH
CID 978344
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-4-yl)propanoic acid
CID 978322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid (CID 56777165) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid is O=C(N[C@H](Cc1ccc2ccccc2n1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid?
The InChIKey is IDOMHXAHHXHYMO-RUZDIDTESA-N. The full InChI is InChI=1S/C27H22N2O4/c30-26(31)25(15-18-14-13-17-7-1-6-12-24(17)28-18)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid has a molecular weight of 438.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid is sourced from PubChem (CID 56777165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).