3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid

C25H28N2O6 — CID 178196314

IUPAC3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)[C@H]1CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H28N2O6/c1-32-22(24(29)30)13-26-23(28)19-11-6-12-21(19)27-25(31)33-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-5,7-10,19-22H,6,11-14H2,1H3,(H,26,28)(H,27,31)(H,29,30)/t19-,21+,22?/m0/s1
InChIKeyAICPNHHGNHKUGD-BMHUVXDISA-N
MW452.51 g/mol
LogP2.91
Rot. Bonds8

About 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid

3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid (PubChem CID 178196314) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid
PubChem CID178196314
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)[C@H]1CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H28N2O6/c1-32-22(24(29)30)13-26-23(28)19-11-6-12-21(19)27-25(31)33-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-5,7-10,19-22H,6,11-14H2,1H3,(H,26,28)(H,27,31)(H,29,30)/t19-,21+,22?/m0/s1
InChIKeyAICPNHHGNHKUGD-BMHUVXDISA-N
XLogP2.91
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid with MolForge

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Related Compounds

4-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxybutanoic acid
CID 178191484
2-[[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]methyl]pentanoic acid
CID 178194096
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxypropanoyl]amino]cycloheptane-1-carboxylic acid
CID 178195858
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(2S)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 178199189
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2,2-dimethylbutanoic acid
CID 165484240
(2S)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 178190822
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
(2R)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]butanoic acid
CID 178195867
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-3-hydroxybutanoic acid
CID 165485736
(2S)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]hexanoic acid
CID 178191084

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid (CID 178196314) is 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)[C@H]1CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid?
The InChIKey is AICPNHHGNHKUGD-BMHUVXDISA-N. The full InChI is InChI=1S/C25H28N2O6/c1-32-22(24(29)30)13-26-23(28)19-11-6-12-21(19)27-25(31)33-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-5,7-10,19-22H,6,11-14H2,1H3,(H,26,28)(H,27,31)(H,29,30)/t19-,21+,22?/m0/s1.
What are the key properties of 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid?
3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid has a molecular weight of 452.51 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 178196314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).