(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate

C19H17NO4 — CID 169286639

IUPAC(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
SMILESC=CC(=O)OCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4/c1-2-18(21)24-12-20-19(22)23-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,20,22)
InChIKeyABHUDJXVWZUCMD-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.21
Rot. Bonds5

About (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate

(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate (PubChem CID 169286639) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate.

Molecular Properties

Compound Name(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
PubChem CID169286639
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
SMILESC=CC(=O)OCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4/c1-2-18(21)24-12-20-19(22)23-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,20,22)
InChIKeyABHUDJXVWZUCMD-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 91976784
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
CID 23551074
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
CID 178201093
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146

Frequently Asked Questions

What is the IUPAC name of (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate?
The IUPAC name of (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate (CID 169286639) is (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate.
What is the SMILES notation for (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate?
The canonical SMILES for (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate is C=CC(=O)OCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate?
The InChIKey is ABHUDJXVWZUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-18(21)24-12-20-19(22)23-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,20,22).
What are the key properties of (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate?
(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate has a molecular weight of 323.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate is sourced from PubChem (CID 169286639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).