(3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid

C27H32N2O6 — CID 178192463

IUPAC(3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid
SMILESCC(CCC(=O)NC[C@H]1C[C@@H](C(=O)O)CO1)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O6/c1-17(10-11-25(30)28-14-19-12-18(15-34-19)26(31)32)13-29-27(33)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-9,17-19,24H,10-16H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t17?,18-,19-/m1/s1
InChIKeyYAJQAOGLIBFOOG-OMKBGSMGSA-N
MW480.56 g/mol
LogP3.55
Rot. Bonds10

About (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid

(3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid (PubChem CID 178192463) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid
PubChem CID178192463
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name(3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid
SMILESCC(CCC(=O)NC[C@H]1C[C@@H](C(=O)O)CO1)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O6/c1-17(10-11-25(30)28-14-19-12-18(15-34-19)26(31)32)13-29-27(33)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-9,17-19,24H,10-16H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t17?,18-,19-/m1/s1
InChIKeyYAJQAOGLIBFOOG-OMKBGSMGSA-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 (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid with MolForge

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Related Compounds

(3R,5R)-5-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]methyl]oxolane-3-carboxylic acid
CID 178192701
(3R,5R)-5-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybutanoyl]amino]methyl]oxolane-3-carboxylic acid
CID 178193373
(3S,5S)-5-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]oxolane-3-carboxylic acid
CID 178195933
(3R,5R)-5-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid
CID 178192771
5-[[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 165447210
trans-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 178193456
trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178192151
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
trans-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 178195647
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178193406
trans-(1R,2S)-2-[[[(3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195744
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid (CID 178192463) is (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid is CC(CCC(=O)NC[C@H]1C[C@@H](C(=O)O)CO1)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is YAJQAOGLIBFOOG-OMKBGSMGSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-17(10-11-25(30)28-14-19-12-18(15-34-19)26(31)32)13-29-27(33)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-9,17-19,24H,10-16H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t17?,18-,19-/m1/s1.
What are the key properties of (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid?
(3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic 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 (3R,5R)-5-[[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 178192463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).