3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

C18H16NO4- — CID 7005107

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESO=C([O-])CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)/p-1
InChIKeyLINBWYYLPWJQHE-UHFFFAOYSA-M
MW310.33 g/mol
LogP1.67
Rot. Bonds5

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (PubChem CID 7005107) has the molecular formula C18H16NO4- and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
PubChem CID7005107
Molecular FormulaC18H16NO4-
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SMILESO=C([O-])CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)/p-1
InChIKeyLINBWYYLPWJQHE-UHFFFAOYSA-M
XLogP1.67
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride
CID 70700199
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate (CID 7005107) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is O=C([O-])CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
The InChIKey is LINBWYYLPWJQHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)/p-1.
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate?
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate has a molecular weight of 310.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 7005107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).