2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C24H22N2O4S — CID 104770752

IUPAC2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C2CC2)n1
InChIInChI=1S/C24H22N2O4S/c1-14-13-31-22(25-14)21(23(27)28)26(15-10-11-15)24(29)30-12-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,13,15,20-21H,10-12H2,1H3,(H,27,28)
InChIKeyASNASLNYKXDVOQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.99
Rot. Bonds6

About 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 104770752) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID104770752
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C2CC2)n1
InChIInChI=1S/C24H22N2O4S/c1-14-13-31-22(25-14)21(23(27)28)26(15-10-11-15)24(29)30-12-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,13,15,20-21H,10-12H2,1H3,(H,27,28)
InChIKeyASNASLNYKXDVOQ-UHFFFAOYSA-N
XLogP4.99
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid with MolForge

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Related Compounds

2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(2,6-dimethylphenyl)acetic acid
CID 103857654
2-(3-bromothiophen-2-yl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103829212
2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103665683
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
2-[cyclopropyl(phenylmethoxycarbonyl)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 104862961
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
CID 103696873
2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770725
2-[9H-fluoren-9-ylmethoxycarbonyl(propan-2-yl)amino]-2-(1,3-thiazol-4-yl)acetic acid
CID 104862968
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]propanoic acid
CID 165466336

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 104770752) is 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is Cc1csc(C(C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is ASNASLNYKXDVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-14-13-31-22(25-14)21(23(27)28)26(15-10-11-15)24(29)30-12-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,13,15,20-21H,10-12H2,1H3,(H,27,28).
What are the key properties of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 434.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 104770752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).