(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid

C24H24FNO4 — CID 71681258

IUPAC(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)/C(F)=C1\CCC[C@H]1C(=O)O
InChIInChI=1S/C24H24FNO4/c1-14(22(25)19-11-6-12-20(19)23(27)28)26-24(29)30-13-21-17-9-4-2-7-15(17)16-8-3-5-10-18(16)21/h2-5,7-10,14,20-21H,6,11-13H2,1H3,(H,26,29)(H,27,28)/b22-19-/t14-,20+/m0/s1
InChIKeyLAPUULMQOLETTO-WBZBZWEBSA-N
MW409.46 g/mol
LogP5.02
Rot. Bonds5

About (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid

(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid (PubChem CID 71681258) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid
PubChem CID71681258
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC Name(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)/C(F)=C1\CCC[C@H]1C(=O)O
InChIInChI=1S/C24H24FNO4/c1-14(22(25)19-11-6-12-20(19)23(27)28)26-24(29)30-13-21-17-9-4-2-7-15(17)16-8-3-5-10-18(16)21/h2-5,7-10,14,20-21H,6,11-13H2,1H3,(H,26,29)(H,27,28)/b22-19-/t14-,20+/m0/s1
InChIKeyLAPUULMQOLETTO-WBZBZWEBSA-N
XLogP5.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(1R,2E)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropylidene]cyclopentane-1-carboxylic acid
CID 71055944
cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 178196245
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066

Frequently Asked Questions

What is the IUPAC name of (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid (CID 71681258) is (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid is C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)/C(F)=C1\CCC[C@H]1C(=O)O.
What is the InChIKey of (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid?
The InChIKey is LAPUULMQOLETTO-WBZBZWEBSA-N. The full InChI is InChI=1S/C24H24FNO4/c1-14(22(25)19-11-6-12-20(19)23(27)28)26-24(29)30-13-21-17-9-4-2-7-15(17)16-8-3-5-10-18(16)21/h2-5,7-10,14,20-21H,6,11-13H2,1H3,(H,26,29)(H,27,28)/b22-19-/t14-,20+/m0/s1.
What are the key properties of (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid?
(1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid has a molecular weight of 409.46 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-fluoropropylidene]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 71681258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).