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

C27H30N2O6 — CID 178195934

IUPAC1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H30N2O6/c1-34-27(25(31)32)13-14-29(16-27)24(30)21-11-6-12-23(21)28-26(33)35-15-22-19-9-4-2-7-17(19)18-8-3-5-10-20(18)22/h2-5,7-10,21-23H,6,11-16H2,1H3,(H,28,33)(H,31,32)/t21-,23+,27?/m0/s1
InChIKeyPERCNFZMLMTJIQ-NVJHJAMWSA-N
MW478.55 g/mol
LogP3.40
Rot. Bonds6

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

1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid (PubChem CID 178195934) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid
PubChem CID178195934
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H30N2O6/c1-34-27(25(31)32)13-14-29(16-27)24(30)21-11-6-12-23(21)28-26(33)35-15-22-19-9-4-2-7-17(19)18-8-3-5-10-20(18)22/h2-5,7-10,21-23H,6,11-16H2,1H3,(H,28,33)(H,31,32)/t21-,23+,27?/m0/s1
InChIKeyPERCNFZMLMTJIQ-NVJHJAMWSA-N
XLogP3.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]pyrrolidine-3-carboxylic acid
CID 178199270
2-[(3S,4S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178196156
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 178195889
2-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 178198979
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
(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 178196433
1-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]-methylamino]cyclopropane-1-carboxylic acid
CID 178195976
1-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178191458
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-methylpiperidine-2-carboxylic acid
CID 178194889
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191579

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid (CID 178195934) is 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid is COC1(C(=O)O)CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid?
The InChIKey is PERCNFZMLMTJIQ-NVJHJAMWSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-34-27(25(31)32)13-14-29(16-27)24(30)21-11-6-12-23(21)28-26(33)35-15-22-19-9-4-2-7-17(19)18-8-3-5-10-20(18)22/h2-5,7-10,21-23H,6,11-16H2,1H3,(H,28,33)(H,31,32)/t21-,23+,27?/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid?
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-3-methoxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 178195934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).