2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid

C28H34N2O5 — CID 165446924

IUPAC2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid
SMILESCCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C28H34N2O5/c1-3-28(2,26(33)30-15-9-8-10-19(30)16-25(31)32)18-29-27(34)35-17-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-7,11-14,19,24H,3,8-10,15-18H2,1-2H3,(H,29,34)(H,31,32)
InChIKeyMZEWDNAHLIQIJU-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.80
Rot. Bonds8

About 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid

2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid (PubChem CID 165446924) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid
PubChem CID165446924
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid
SMILESCCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C28H34N2O5/c1-3-28(2,26(33)30-15-9-8-10-19(30)16-25(31)32)18-29-27(34)35-17-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-7,11-14,19,24H,3,8-10,15-18H2,1-2H3,(H,29,34)(H,31,32)
InChIKeyMZEWDNAHLIQIJU-UHFFFAOYSA-N
XLogP4.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid
CID 178193079
2-[(2R)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]pyrrolidin-2-yl]acetic acid
CID 178191195
2-[(2R)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]piperidin-2-yl]acetic acid
CID 178193554
2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
CID 165481439
2-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]acetic acid
CID 178195426
2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid
CID 165485685
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193521
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
CID 86295162
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178192312
3-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]propanoic acid
CID 165459626

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid (CID 165446924) is 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid is CCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid?
The InChIKey is MZEWDNAHLIQIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-3-28(2,26(33)30-15-9-8-10-19(30)16-25(31)32)18-29-27(34)35-17-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-7,11-14,19,24H,3,8-10,15-18H2,1-2H3,(H,29,34)(H,31,32).
What are the key properties of 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid?
2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid has a molecular weight of 478.59 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 165446924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).