3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid

C26H28N2O6 — CID 178195467

IUPAC3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C26H28N2O6/c29-23(30)13-22(15-9-10-15)27-25(31)24-21(11-12-33-24)28-26(32)34-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-22,24H,9-14H2,(H,27,31)(H,28,32)(H,29,30)/t21-,22?,24+/m1/s1
InChIKeyLYNMLPSMKHFGBG-FTPWCCPUSA-N
MW464.52 g/mol
LogP3.05
Rot. Bonds8

About 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid

3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid (PubChem CID 178195467) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
PubChem CID178195467
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C26H28N2O6/c29-23(30)13-22(15-9-10-15)27-25(31)24-21(11-12-33-24)28-26(32)34-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-22,24H,9-14H2,(H,27,31)(H,28,32)(H,29,30)/t21-,22?,24+/m1/s1
InChIKeyLYNMLPSMKHFGBG-FTPWCCPUSA-N
XLogP3.05
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]pentanoic acid
CID 178196476
3-cyclopropyl-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178195807
(2S,3S)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-3-methylpentanoic acid
CID 178191364
(2S)-3-(dimethylamino)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178192475
2-[1-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclopropyl]acetic acid
CID 178195834
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178193574
(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid
CID 178193952
5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid
CID 178191736
(2R,3S)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178191827
3-cyclopentyl-3-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]propanoic acid
CID 178195796
(2R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178198790

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid (CID 178195467) is 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid is O=C(O)CC(NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid?
The InChIKey is LYNMLPSMKHFGBG-FTPWCCPUSA-N. The full InChI is InChI=1S/C26H28N2O6/c29-23(30)13-22(15-9-10-15)27-25(31)24-21(11-12-33-24)28-26(32)34-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-22,24H,9-14H2,(H,27,31)(H,28,32)(H,29,30)/t21-,22?,24+/m1/s1.
What are the key properties of 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid?
3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid has a molecular weight of 464.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 178195467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).