cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid

C27H32N2O6 — CID 178192216

IUPACcis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCOC(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C27H32N2O6/c1-2-34-19(14-25(30)29-18-12-11-17(13-18)26(31)32)15-28-27(33)35-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,17-19,24H,2,11-16H2,1H3,(H,28,33)(H,29,30)(H,31,32)/t17-,18+,19?/m1/s1
InChIKeyWUKQUAKNMZANFR-YTYFACEESA-N
MW480.56 g/mol
LogP3.69
Rot. Bonds10

About cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 178192216) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID178192216
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Namecis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCOC(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C27H32N2O6/c1-2-34-19(14-25(30)29-18-12-11-17(13-18)26(31)32)15-28-27(33)35-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,17-19,24H,2,11-16H2,1H3,(H,28,33)(H,29,30)(H,31,32)/t17-,18+,19?/m1/s1
InChIKeyWUKQUAKNMZANFR-YTYFACEESA-N
XLogP3.69
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192418
cis-(1S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,3,3-trifluoropropanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192890
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
3-[[3-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165456727
cis-(1S,3R)-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198337
cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178192915
cis-(1R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191934
cis-(1R,3S)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclohexane-1-carboxylic acid
CID 178202782
(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
CID 178192127
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178193341
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid (CID 178192216) is cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid is CCOC(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is WUKQUAKNMZANFR-YTYFACEESA-N. The full InChI is InChI=1S/C27H32N2O6/c1-2-34-19(14-25(30)29-18-12-11-17(13-18)26(31)32)15-28-27(33)35-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,17-19,24H,2,11-16H2,1H3,(H,28,33)(H,29,30)(H,31,32)/t17-,18+,19?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 480.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[3-ethoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178192216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).