5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid

C27H32N2O6 — CID 178191768

IUPAC5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid
SMILESCC(CCNC(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C27H32N2O6/c1-17(14-24(30)31)10-12-28-26(32)25-18(11-13-34-25)15-29-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,17-18,23,25H,10-16H2,1H3,(H,28,32)(H,29,33)(H,30,31)/t17?,18-,25-/m0/s1
InChIKeyUBIAJRMAQAPXIH-PSPIYLNYSA-N
MW480.56 g/mol
LogP3.55
Rot. Bonds10

About 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid

5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 178191768) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid
PubChem CID178191768
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid
SMILESCC(CCNC(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C27H32N2O6/c1-17(14-24(30)31)10-12-28-26(32)25-18(11-13-34-25)15-29-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,17-18,23,25H,10-16H2,1H3,(H,28,32)(H,29,33)(H,30,31)/t17?,18-,25-/m0/s1
InChIKeyUBIAJRMAQAPXIH-PSPIYLNYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

4-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methoxybutanoic acid
CID 178193313
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid
CID 178193346
2-[2-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 178198746
(2S,3S)-2-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid
CID 178194074
(2S)-2-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid
CID 178196792
2-[[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 178193369
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178193341
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]-propylamino]propanoic acid
CID 178193354
(2R,3R)-3-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-2-carboxylic acid
CID 178198996
(2R,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]methyl]oxolane-2-carboxylic acid
CID 178191344
(2R,3R)-3-[[[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]methyl]oxolane-2-carboxylic acid
CID 178191785
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 178191221

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid (CID 178191768) is 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid is CC(CCNC(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O.
What is the InChIKey of 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is UBIAJRMAQAPXIH-PSPIYLNYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-17(14-24(30)31)10-12-28-26(32)25-18(11-13-34-25)15-29-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,17-18,23,25H,10-16H2,1H3,(H,28,32)(H,29,33)(H,30,31)/t17?,18-,25-/m0/s1.
What are the key properties of 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid?
5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 480.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 178191768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).