3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid

C21H23NO4 — CID 81064501

IUPAC3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C21H23NO4/c1-2-14(11-20(23)24)12-22-21(25)26-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyZWZQLAPFIZDAGY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.03
Rot. Bonds7

About 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid

3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid (PubChem CID 81064501) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid
PubChem CID81064501
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C21H23NO4/c1-2-14(11-20(23)24)12-22-21(25)26-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyZWZQLAPFIZDAGY-UHFFFAOYSA-N
XLogP4.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 178193936
3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid
CID 165483059
(3S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122173621
(3R)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 46898630
(2S)-5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 171702819
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoyl]amino]butanoic acid
CID 165498207
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 167170098
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(phenylmethoxycarbonylamino)butanoic acid
CID 3337413
(3S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid
CID 170895498
4-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoylamino]-3-methylbutanoic acid
CID 165487817

Frequently Asked Questions

What is the IUPAC name of 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid (CID 81064501) is 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid is CCC(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O.
What is the InChIKey of 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid?
The InChIKey is ZWZQLAPFIZDAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-14(11-20(23)24)12-22-21(25)26-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,2,11-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid?
3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid has a molecular weight of 353.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81064501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).