(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid

C24H29NO4 — CID 95897978

IUPAC(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
SMILESCCCCCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H29NO4/c1-2-3-4-5-10-17(15-23(26)27)25-24(28)29-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,17,22H,2-5,10,15-16H2,1H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyQUVRSYCVENJXLC-QGZVFWFLSA-N
MW395.50 g/mol
LogP5.34
Rot. Bonds10

About (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid

(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid (PubChem CID 95897978) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid.

Molecular Properties

Compound Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
PubChem CID95897978
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
SMILESCCCCCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H29NO4/c1-2-3-4-5-10-17(15-23(26)27)25-24(28)29-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,17,22H,2-5,10,15-16H2,1H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyQUVRSYCVENJXLC-QGZVFWFLSA-N
XLogP5.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
CID 165461568
3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 91977094
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethylhexanoic acid
CID 163358524

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid?
The IUPAC name of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid (CID 95897978) is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid.
What is the SMILES notation for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid?
The canonical SMILES for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid is CCCCCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid?
The InChIKey is QUVRSYCVENJXLC-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29NO4/c1-2-3-4-5-10-17(15-23(26)27)25-24(28)29-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,17,22H,2-5,10,15-16H2,1H3,(H,25,28)(H,26,27)/t17-/m1/s1.
What are the key properties of (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid?
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid has a molecular weight of 395.50 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid is sourced from PubChem (CID 95897978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).