3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid

C25H27NO4 — CID 104866498

IUPAC3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CC1CC1)(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C25H27NO4/c1-25(23(27)28,14-16-10-11-16)26(17-12-13-17)24(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,27,28)
InChIKeyHPFBFSKPDARQJL-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.04
Rot. Bonds7

About 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid

3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid (PubChem CID 104866498) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid
PubChem CID104866498
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CC1CC1)(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C25H27NO4/c1-25(23(27)28,14-16-10-11-16)26(17-12-13-17)24(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,27,28)
InChIKeyHPFBFSKPDARQJL-UHFFFAOYSA-N
XLogP5.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-6,6,6-trifluoro-2-methylhexanoic acid
CID 104889928
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]propanoic acid
CID 165466336
(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid
CID 67594296
(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 154724956
9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
CID 157184389
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-(3,5-difluorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 103747572
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 103664327

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid (CID 104866498) is 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid is CC(CC1CC1)(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1.
What is the InChIKey of 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HPFBFSKPDARQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-25(23(27)28,14-16-10-11-16)26(17-12-13-17)24(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,27,28).
What are the key properties of 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid?
3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid has a molecular weight of 405.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104866498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).