4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid

C27H33NO4 — CID 103695951

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid
SMILESCC1CCCC(CC(CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H33NO4/c1-18-7-6-8-19(15-18)16-20(13-14-26(29)30)28-27(31)32-17-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-5,9-12,18-20,25H,6-8,13-17H2,1H3,(H,28,31)(H,29,30)
InChIKeyBSLXGGNUOOHKKZ-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.97
Rot. Bonds8

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid (PubChem CID 103695951) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid
PubChem CID103695951
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid
SMILESCC1CCCC(CC(CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H33NO4/c1-18-7-6-8-19(15-18)16-20(13-14-26(29)30)28-27(31)32-17-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-5,9-12,18-20,25H,6-8,13-17H2,1H3,(H,28,31)(H,29,30)
InChIKeyBSLXGGNUOOHKKZ-UHFFFAOYSA-N
XLogP5.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylcyclohexyl)propanoic acid
CID 104941327
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(3-methylcyclopentyl)amino]-5-oxopentanoic acid
CID 165461212
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid
CID 178196111
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
cis-(1R,3S)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclohexane-1-carboxylic acid
CID 178202782
5-(4-bromo-3-methylphenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 103714200
(3R)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 7176369
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid (CID 103695951) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid is CC1CCCC(CC(CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid?
The InChIKey is BSLXGGNUOOHKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-18-7-6-8-19(15-18)16-20(13-14-26(29)30)28-27(31)32-17-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-5,9-12,18-20,25H,6-8,13-17H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid has a molecular weight of 435.56 g/mol, XLogP of 5.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid is sourced from PubChem (CID 103695951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).