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

C24H26N2O5 — CID 178196245

IUPACcis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H26N2O5/c1-14(22(27)26-21-12-6-11-19(21)23(28)29)25-24(30)31-13-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-5,7-10,14,19-21H,6,11-13H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t14?,19-,21+/m1/s1
InChIKeyZYLFIHDATFCAOC-LBHBKLHLSA-N
MW422.48 g/mol
LogP3.28
Rot. Bonds6

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

cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 178196245) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID178196245
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namecis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C24H26N2O5/c1-14(22(27)26-21-12-6-11-19(21)23(28)29)25-24(30)31-13-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-5,7-10,14,19-21H,6,11-13H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t14?,19-,21+/m1/s1
InChIKeyZYLFIHDATFCAOC-LBHBKLHLSA-N
XLogP3.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 178194080
cis-(1R,2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoyl]amino]cyclopentane-1-carboxylic acid
CID 178195500
cis-(1R,2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylhexanoyl]amino]cyclopentane-1-carboxylic acid
CID 178199219
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191918
cis-(1R,2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178192979
cis-(1S,2R)-2-[[2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 178191904
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 165480945
cis-(1R,2S)-2-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cycloheptane-1-carboxylic acid
CID 178199377
cis-(1R,2S)-2-[[3-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 178198478
cis-(1R,2S)-2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178198609

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid (CID 178196245) is cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid is CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZYLFIHDATFCAOC-LBHBKLHLSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-14(22(27)26-21-12-6-11-19(21)23(28)29)25-24(30)31-13-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-5,7-10,14,19-21H,6,11-13H2,1H3,(H,25,30)(H,26,27)(H,28,29)/t14?,19-,21+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 422.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178196245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).