3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid

C24H25N5O5 — CID 165483059

IUPAC3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)n[nH]1)CC(=O)O
InChIInChI=1S/C24H25N5O5/c1-2-14(11-20(30)31)12-25-22(32)21-26-23(29-28-21)27-24(33)34-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,2,11-13H2,1H3,(H,25,32)(H,30,31)(H2,26,27,28,29,33)
InChIKeyNEXYDVUVNYEGBI-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.40
Rot. Bonds9

About 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid

3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid (PubChem CID 165483059) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid
PubChem CID165483059
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)n[nH]1)CC(=O)O
InChIInChI=1S/C24H25N5O5/c1-2-14(11-20(30)31)12-25-22(32)21-26-23(29-28-21)27-24(33)34-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,2,11-13H2,1H3,(H,25,32)(H,30,31)(H2,26,27,28,29,33)
InChIKeyNEXYDVUVNYEGBI-UHFFFAOYSA-N
XLogP3.40
TPSA146.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid
CID 81064501
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 165498955
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178198326
3-[[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 178193936
(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
(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
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
(3S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122173621
(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
CID 165499514

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid (CID 165483059) is 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid is CCC(CNC(=O)c1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)n[nH]1)CC(=O)O.
What is the InChIKey of 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is NEXYDVUVNYEGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-2-14(11-20(30)31)12-25-22(32)21-26-23(29-28-21)27-24(33)34-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,2,11-13H2,1H3,(H,25,32)(H,30,31)(H2,26,27,28,29,33).
What are the key properties of 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid?
3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 463.49 g/mol, XLogP of 3.40, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 165483059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).