2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid

C25H29NO6 — CID 10836802

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)CCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29NO6/c1-25(2,3)32-23(29)13-8-14-26(15-22(27)28)24(30)31-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21H,8,13-16H2,1-3H3,(H,27,28)
InChIKeyODJMJHSQHLGOQJ-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.44
Rot. Bonds8

About 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid

2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid (PubChem CID 10836802) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
PubChem CID10836802
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)CCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29NO6/c1-25(2,3)32-23(29)13-8-14-26(15-22(27)28)24(30)31-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21H,8,13-16H2,1-3H3,(H,27,28)
InChIKeyODJMJHSQHLGOQJ-UHFFFAOYSA-N
XLogP4.44
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 170356529
ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium
CID 160704617
4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid
CID 165494291
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid
CID 71435354
2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid
CID 172529253

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid (CID 10836802) is 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid is CC(C)(C)OC(=O)CCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid?
The InChIKey is ODJMJHSQHLGOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO6/c1-25(2,3)32-23(29)13-8-14-26(15-22(27)28)24(30)31-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21H,8,13-16H2,1-3H3,(H,27,28).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid has a molecular weight of 439.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid is sourced from PubChem (CID 10836802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).