1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C26H30N2O6 — CID 165479233

IUPAC1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(NCCCCCC(=O)N1CC(O)CC1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O6/c29-17-14-23(25(31)32)28(15-17)24(30)12-2-1-7-13-27-26(33)34-16-22-20-10-5-3-8-18(20)19-9-4-6-11-21(19)22/h3-6,8-11,17,22-23,29H,1-2,7,12-16H2,(H,27,33)(H,31,32)
InChIKeyDIIKUOJKVVBGQC-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.13
Rot. Bonds9

About 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 165479233) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID165479233
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(NCCCCCC(=O)N1CC(O)CC1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O6/c29-17-14-23(25(31)32)28(15-17)24(30)12-2-1-7-13-27-26(33)34-16-22-20-10-5-3-8-18(20)19-9-4-6-11-21(19)22/h3-6,8-11,17,22-23,29H,1-2,7,12-16H2,(H,27,33)(H,31,32)
InChIKeyDIIKUOJKVVBGQC-UHFFFAOYSA-N
XLogP3.13
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 178198849
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid
CID 165494853
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
(2S,4S)-1-[(1R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 165445860
3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 165468106
(2R,4R)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 178191907
(2R,4R)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 178193932
3-[cyclopropyl-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]propanoic acid
CID 165479645
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 165479233) is 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(NCCCCCC(=O)N1CC(O)CC1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is DIIKUOJKVVBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c29-17-14-23(25(31)32)28(15-17)24(30)12-2-1-7-13-27-26(33)34-16-22-20-10-5-3-8-18(20)19-9-4-6-11-21(19)22/h3-6,8-11,17,22-23,29H,1-2,7,12-16H2,(H,27,33)(H,31,32).
What are the key properties of 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 466.53 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 165479233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).