tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate

C24H27NO5 — CID 85251388

IUPACtert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO5/c1-24(2,3)30-22(27)13-12-16(14-26)25-23(28)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14,16,21H,12-13,15H2,1-3H3,(H,25,28)
InChIKeyBCIPGSZQUDLGSY-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.21
Rot. Bonds7

About tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate

tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate (PubChem CID 85251388) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
PubChem CID85251388
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Nametert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO5/c1-24(2,3)30-22(27)13-12-16(14-26)25-23(28)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14,16,21H,12-13,15H2,1-3H3,(H,25,28)
InChIKeyBCIPGSZQUDLGSY-UHFFFAOYSA-N
XLogP4.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;hydrate
CID 71317335
5-O-tert-butyl 1-O-ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 126640932
tert-butyl 4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-oxo-5-(propan-2-ylamino)pentanoate
CID 138631470
9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 71311549
tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2-hydroxyethylamino)-5-oxopentanoate
CID 101272497
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
CID 124582995
9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
CID 89011784
tert-butyl (4S)-5-azido-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 11575730
tert-butyl (4S)-5-(4-chloroanilino)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 172686859
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 7018816
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 7009545
tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoate
CID 171466792

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
The IUPAC name of tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate (CID 85251388) is tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate.
What is the SMILES notation for tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
The canonical SMILES for tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate is CC(C)(C)OC(=O)CCC(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
The InChIKey is BCIPGSZQUDLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-24(2,3)30-22(27)13-12-16(14-26)25-23(28)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14,16,21H,12-13,15H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate has a molecular weight of 409.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate is sourced from PubChem (CID 85251388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).