1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid

C26H25N3O5S — CID 165496024

IUPAC1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1)NC1(C(=O)O)CCC1
InChIInChI=1S/C26H25N3O5S/c30-22(29-26(24(31)32)10-5-11-26)12-16-15-35-23(28-16)13-27-25(33)34-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-4,6-9,15,21H,5,10-14H2,(H,27,33)(H,29,30)(H,31,32)
InChIKeyWIXIQQAUSSARAW-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.85
Rot. Bonds8

About 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 165496024) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID165496024
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1)NC1(C(=O)O)CCC1
InChIInChI=1S/C26H25N3O5S/c30-22(29-26(24(31)32)10-5-11-26)12-16-15-35-23(28-16)13-27-25(33)34-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-4,6-9,15,21H,5,10-14H2,(H,27,33)(H,29,30)(H,31,32)
InChIKeyWIXIQQAUSSARAW-UHFFFAOYSA-N
XLogP3.85
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 165483985
1-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178195666
1-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 165468000
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluorocyclopentane-1-carboxylic acid
CID 171397176
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
1-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178191458
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxycyclopentane-1-carboxylic acid
CID 22662155

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid (CID 165496024) is 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is WIXIQQAUSSARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c30-22(29-26(24(31)32)10-5-11-26)12-16-15-35-23(28-16)13-27-25(33)34-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-4,6-9,15,21H,5,10-14H2,(H,27,33)(H,29,30)(H,31,32).
What are the key properties of 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 491.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 165496024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).