cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C27H30N2O6 — CID 178198355

IUPACcis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1COCC1C(=O)N[C@@H]1CCC[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-25(28-17-7-5-6-16(12-17)26(31)32)23-13-34-15-24(23)29-27(33)35-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-4,8-11,16-17,22-24H,5-7,12-15H2,(H,28,30)(H,29,33)(H,31,32)/t16-,17+,23?,24?/m0/s1
InChIKeyCUVMHWKBZIJKIV-PGARPHEMSA-N
MW478.55 g/mol
LogP3.30
Rot. Bonds6

About cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid

cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 178198355) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID178198355
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Namecis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1COCC1C(=O)N[C@@H]1CCC[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-25(28-17-7-5-6-16(12-17)26(31)32)23-13-34-15-24(23)29-27(33)35-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-4,8-11,16-17,22-24H,5-7,12-15H2,(H,28,30)(H,29,33)(H,31,32)/t16-,17+,23?,24?/m0/s1
InChIKeyCUVMHWKBZIJKIV-PGARPHEMSA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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 cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-aminocyclohexane-1-carboxylic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 70071243
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1S,3R)-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198337
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
CID 11624815
1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178199207
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007
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
cis-(1R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191934
(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 178195460

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 178198355) is cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1COCC1C(=O)N[C@@H]1CCC[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CUVMHWKBZIJKIV-PGARPHEMSA-N. The full InChI is InChI=1S/C27H30N2O6/c30-25(28-17-7-5-6-16(12-17)26(31)32)23-13-34-15-24(23)29-27(33)35-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-4,8-11,16-17,22-24H,5-7,12-15H2,(H,28,30)(H,29,33)(H,31,32)/t16-,17+,23?,24?/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 178198355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).