(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid

C26H30N2O6 — CID 178193969

IUPAC(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
SMILESCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)N[C@H]1CCO[C@H]1C(=O)O
InChIInChI=1S/C26H30N2O6/c1-26(2,13-22(29)28-21-11-12-33-23(21)24(30)31)15-27-25(32)34-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,23H,11-15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t21-,23+/m0/s1
InChIKeyWATYQHBNMRDNSB-JTHBVZDNSA-N
MW466.53 g/mol
LogP3.30
Rot. Bonds8

About (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid

(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid (PubChem CID 178193969) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
PubChem CID178193969
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
SMILESCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)N[C@H]1CCO[C@H]1C(=O)O
InChIInChI=1S/C26H30N2O6/c1-26(2,13-22(29)28-21-11-12-33-23(21)24(30)31)15-27-25(32)34-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,23H,11-15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t21-,23+/m0/s1
InChIKeyWATYQHBNMRDNSB-JTHBVZDNSA-N
XLogP3.30
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178199085
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]amino]oxolane-2-carboxylic acid
CID 178195472
(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid
CID 178193952
(2R,3S)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178191827
(2R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178198790
(2S,3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentanecarbonyl]amino]oxolane-2-carboxylic acid
CID 178191074
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 178202462
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid
CID 178191249
2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid
CID 165496711
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178193574
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoyl]amino]oxolane-2-carboxylic acid
CID 178195532

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid (CID 178193969) is (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid is CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)N[C@H]1CCO[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid?
The InChIKey is WATYQHBNMRDNSB-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-26(2,13-22(29)28-21-11-12-33-23(21)24(30)31)15-27-25(32)34-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,23H,11-15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t21-,23+/m0/s1.
What are the key properties of (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid?
(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid has a molecular weight of 466.53 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 178193969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).