(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid

C22H23NO5 — CID 10523885

IUPAC(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C22H23NO5/c1-13(19-10-11-20(28-19)21(24)25)23-22(26)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-20H,10-12H2,1H3,(H,23,26)(H,24,25)/t13-,19-,20+/m0/s1
InChIKeyFCEAMUUPOHMTDQ-QTJFZDIUSA-N
MW381.43 g/mol
LogP3.55
Rot. Bonds5

About (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid (PubChem CID 10523885) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid
PubChem CID10523885
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C22H23NO5/c1-13(19-10-11-20(28-19)21(24)25)23-22(26)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-20H,10-12H2,1H3,(H,23,26)(H,24,25)/t13-,19-,20+/m0/s1
InChIKeyFCEAMUUPOHMTDQ-QTJFZDIUSA-N
XLogP3.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S,5S,6R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-propyloxane-2-carboxylic acid
CID 11036994
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 171934882
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid (CID 10523885) is (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid is C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid?
The InChIKey is FCEAMUUPOHMTDQ-QTJFZDIUSA-N. The full InChI is InChI=1S/C22H23NO5/c1-13(19-10-11-20(28-19)21(24)25)23-22(26)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-20H,10-12H2,1H3,(H,23,26)(H,24,25)/t13-,19-,20+/m0/s1.
What are the key properties of (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 10523885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).