(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid

C27H30N2O6 — CID 178191074

IUPAC(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-25(29-23-12-13-34-24(23)26(31)32)17-11-5-6-16(17)14-28-27(33)35-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,16-17,22-24H,5-6,11-15H2,(H,28,33)(H,29,30)(H,31,32)/t16?,17?,23-,24+/m1/s1
InChIKeyXUTCZFUQKJJCQL-ODHCCTKASA-N
MW478.55 g/mol
LogP3.30
Rot. Bonds7

About (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid

(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid (PubChem CID 178191074) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid
PubChem CID178191074
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-25(29-23-12-13-34-24(23)26(31)32)17-11-5-6-16(17)14-28-27(33)35-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,16-17,22-24H,5-6,11-15H2,(H,28,33)(H,29,30)(H,31,32)/t16?,17?,23-,24+/m1/s1
InChIKeyXUTCZFUQKJJCQL-ODHCCTKASA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

cis-(1S,3R)-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198337
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178193574
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178195541
trans-(1S,2R)-2-[[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195996
2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178191792
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193550
4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]butanoic acid
CID 178198425
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178193341
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
CID 178193969
3-[2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]ethoxy]propanoic acid
CID 178199406
1-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 165468000

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid (CID 178191074) is (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid is O=C(NCC1CCCC1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid?
The InChIKey is XUTCZFUQKJJCQL-ODHCCTKASA-N. The full InChI is InChI=1S/C27H30N2O6/c30-25(29-23-12-13-34-24(23)26(31)32)17-11-5-6-16(17)14-28-27(33)35-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,16-17,22-24H,5-6,11-15H2,(H,28,33)(H,29,30)(H,31,32)/t16?,17?,23-,24+/m1/s1.
What are the key properties of (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid?
(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 178191074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).