10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid

C25H31NO4 — CID 141018797

IUPAC10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
SMILESNCCCCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H31NO4/c26-16-10-4-2-1-3-5-15-22(24(27)28)25(29)30-17-23-20-13-8-6-11-18(20)19-12-7-9-14-21(19)23/h6-9,11-14,22-23H,1-5,10,15-17,26H2,(H,27,28)
InChIKeyMLMTWNHGUDJOBS-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.73
Rot. Bonds12

About 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid

10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid (PubChem CID 141018797) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid.

Molecular Properties

Compound Name10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
PubChem CID141018797
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
SMILESNCCCCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H31NO4/c26-16-10-4-2-1-3-5-15-22(24(27)28)25(29)30-17-23-20-13-8-6-11-18(20)19-12-7-9-14-21(19)23/h6-9,11-14,22-23H,1-5,10,15-17,26H2,(H,27,28)
InChIKeyMLMTWNHGUDJOBS-UHFFFAOYSA-N
XLogP4.73
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid
CID 175950732
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202
(2S)-6-amino-2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid
CID 171853524
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
(2R)-2,6-diamino-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonyl)hexanoic acid
CID 166520056
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
CID 124582995
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151

Frequently Asked Questions

What is the IUPAC name of 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid?
The IUPAC name of 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid (CID 141018797) is 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid.
What is the SMILES notation for 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid?
The canonical SMILES for 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid is NCCCCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid?
The InChIKey is MLMTWNHGUDJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c26-16-10-4-2-1-3-5-15-22(24(27)28)25(29)30-17-23-20-13-8-6-11-18(20)19-12-7-9-14-21(19)23/h6-9,11-14,22-23H,1-5,10,15-17,26H2,(H,27,28).
What are the key properties of 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid?
10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid has a molecular weight of 409.53 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid is sourced from PubChem (CID 141018797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).