trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid

C27H32N2O5 — CID 178192312

IUPACtrans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C27H32N2O5/c1-27(2,25(32)28-14-17-8-7-13-18(17)24(30)31)16-29-26(33)34-15-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23H,7-8,13-16H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)/t17-,18-/m1/s1
InChIKeyGURYNUGWXNZMGP-QZTJIDSGSA-N
MW464.56 g/mol
LogP4.17
Rot. Bonds8

About trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid

trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 178192312) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID178192312
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Nametrans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C27H32N2O5/c1-27(2,25(32)28-14-17-8-7-13-18(17)24(30)31)16-29-26(33)34-15-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23H,7-8,13-16H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)/t17-,18-/m1/s1
InChIKeyGURYNUGWXNZMGP-QZTJIDSGSA-N
XLogP4.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193521
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178195541
trans-(1R,2S)-2-[[[2-ethyl-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]butanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178194990
trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178192151
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193550
2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178191792
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 178196003
trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193520
trans-(1S,2R)-2-[[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195996
trans-(1R,2S)-2-[[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193503
cis-(1S,3R)-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198337

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 178192312) is trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid is CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GURYNUGWXNZMGP-QZTJIDSGSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-27(2,25(32)28-14-17-8-7-13-18(17)24(30)31)16-29-26(33)34-15-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h3-6,9-12,17-18,23H,7-8,13-16H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 464.56 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178192312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).