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

C26H30N2O6 — CID 178191249

IUPAC(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid
SMILESCCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O
InChIInChI=1S/C26H30N2O6/c1-3-15(2)22(24(29)27-21-12-13-33-23(21)25(30)31)28-26(32)34-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-23H,3,12-14H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)/t15?,21-,22?,23+/m0/s1
InChIKeyBNRHZIRLJQSWRI-QYZDTXBVSA-N
MW466.53 g/mol
LogP3.30
Rot. Bonds8

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

(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid (PubChem CID 178191249) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid
PubChem CID178191249
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid
SMILESCCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O
InChIInChI=1S/C26H30N2O6/c1-3-15(2)22(24(29)27-21-12-13-33-23(21)25(30)31)28-26(32)34-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-23H,3,12-14H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)/t15?,21-,22?,23+/m0/s1
InChIKeyBNRHZIRLJQSWRI-QYZDTXBVSA-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-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid with MolForge

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Related Compounds

(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
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoyl]amino]oxolane-2-carboxylic acid
CID 178195532
(2R,3R)-3-[[[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]methyl]oxolane-2-carboxylic acid
CID 178191785
(2S,3S)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-3-methylpentanoic acid
CID 178191364
(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid
CID 178193952
2-[[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412621
2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412620
(3R)-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]pentanoic acid
CID 178196476
(3R,5R)-5-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]methyl]oxolane-3-carboxylic acid
CID 178192771
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992514

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid (CID 178191249) is (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid is CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid?
The InChIKey is BNRHZIRLJQSWRI-QYZDTXBVSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-3-15(2)22(24(29)27-21-12-13-33-23(21)25(30)31)28-26(32)34-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-23H,3,12-14H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)/t15?,21-,22?,23+/m0/s1.
What are the key properties of (2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid?
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]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-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 178191249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).