6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid

C25H29N3O7 — CID 155427273

IUPAC6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CONC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29N3O7/c29-22(28-35-16-23(30)26-13-7-1-2-12-24(31)32)14-27-25(33)34-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,1-2,7,12-16H2,(H,26,30)(H,27,33)(H,28,29)(H,31,32)
InChIKeyYZESQYOIVQKAQD-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.33
Rot. Bonds13

About 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid

6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid (PubChem CID 155427273) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid
PubChem CID155427273
Molecular FormulaC25H29N3O7
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC Name6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CONC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29N3O7/c29-22(28-35-16-23(30)26-13-7-1-2-12-24(31)32)14-27-25(33)34-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,1-2,7,12-16H2,(H,26,30)(H,27,33)(H,28,29)(H,31,32)
InChIKeyYZESQYOIVQKAQD-UHFFFAOYSA-N
XLogP2.33
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid with MolForge

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Related Compounds

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
(3R)-3-[7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]butanoic acid
CID 165498296
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
2-[2-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid
CID 68671460
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate
CID 90385969
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
6-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 178195515
3-[cyclopropyl-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]propanoic acid
CID 165479645

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid (CID 155427273) is 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)CONC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid?
The InChIKey is YZESQYOIVQKAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7/c29-22(28-35-16-23(30)26-13-7-1-2-12-24(31)32)14-27-25(33)34-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,1-2,7,12-16H2,(H,26,30)(H,27,33)(H,28,29)(H,31,32).
What are the key properties of 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid?
6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid has a molecular weight of 483.52 g/mol, XLogP of 2.33, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid is sourced from PubChem (CID 155427273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).