2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid

C23H25NO4 — CID 57367840

IUPAC2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1
InChIInChI=1S/C23H25NO4/c1-15(22(25)26)24(16-8-2-3-9-16)23(27)28-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,15-16,21H,2-3,8-9,14H2,1H3,(H,25,26)
InChIKeyQOBHZVKZAFSHAC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.65
Rot. Bonds5

About 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid

2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid (PubChem CID 57367840) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
PubChem CID57367840
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1
InChIInChI=1S/C23H25NO4/c1-15(22(25)26)24(16-8-2-3-9-16)23(27)28-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,15-16,21H,2-3,8-9,14H2,1H3,(H,25,26)
InChIKeyQOBHZVKZAFSHAC-UHFFFAOYSA-N
XLogP4.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]propanoic acid
CID 165466336
2-[dicyclopropylmethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 102482416
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 57345952
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(2,6-dimethylphenyl)acetic acid
CID 103857654
2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
CID 155888114
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid (CID 57367840) is 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
The InChIKey is QOBHZVKZAFSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15(22(25)26)24(16-8-2-3-9-16)23(27)28-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,15-16,21H,2-3,8-9,14H2,1H3,(H,25,26).
What are the key properties of 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid?
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 57367840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).