2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate

C22H23NO4 — CID 91976784

IUPAC2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
SMILESC=CC(C)(C)OC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c1-4-22(2,3)27-20(24)13-23-21(25)26-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h4-12,19H,1,13-14H2,2-3H3,(H,23,25)
InChIKeyXFPDIPBRRQHNRF-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.03
Rot. Bonds6

About 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate

2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate (PubChem CID 91976784) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
PubChem CID91976784
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
SMILESC=CC(C)(C)OC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c1-4-22(2,3)27-20(24)13-23-21(25)26-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h4-12,19H,1,13-14H2,2-3H3,(H,23,25)
InChIKeyXFPDIPBRRQHNRF-UHFFFAOYSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
[(2-chlorophenyl)-diphenylmethyl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 121233561
(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
CID 169286639
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
CID 23551074
9H-fluoren-9-ylmethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetate;9H-fluoren-9-ylmethyl 2-[3-(prop-2-enoxycarbonylamino)propylamino]acetate
CID 161445836
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
CID 134309423
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylhex-5-enoic acid
CID 138987577
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The IUPAC name of 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate (CID 91976784) is 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate.
What is the SMILES notation for 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The canonical SMILES for 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate is C=CC(C)(C)OC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The InChIKey is XFPDIPBRRQHNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-22(2,3)27-20(24)13-23-21(25)26-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h4-12,19H,1,13-14H2,2-3H3,(H,23,25).
What are the key properties of 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate has a molecular weight of 365.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate is sourced from PubChem (CID 91976784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).