3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C26H28N2O5 — CID 165468106

IUPAC3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(NCCCCC(=O)N1CC2CC2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28N2O5/c29-23(28-14-17-13-26(17,16-28)24(30)31)11-5-6-12-27-25(32)33-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,27,32)(H,30,31)
InChIKeyILNCOIMMZKZMKO-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.63
Rot. Bonds8

About 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 165468106) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID165468106
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(NCCCCC(=O)N1CC2CC2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28N2O5/c29-23(28-14-17-13-26(17,16-28)24(30)31)11-5-6-12-27-25(32)33-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,27,32)(H,30,31)
InChIKeyILNCOIMMZKZMKO-UHFFFAOYSA-N
XLogP3.63
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid with MolForge

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Related Compounds

1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid
CID 165494853
1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 165479233
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
(3aS,6aS)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 178192696
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437

Frequently Asked Questions

What is the IUPAC name of 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 165468106) is 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is O=C(NCCCCC(=O)N1CC2CC2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is ILNCOIMMZKZMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c29-23(28-14-17-13-26(17,16-28)24(30)31)11-5-6-12-27-25(32)33-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,27,32)(H,30,31).
What are the key properties of 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 448.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 165468106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).