2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid

C24H24N4O5 — CID 103696873

IUPAC2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
SMILESO=C(O)C(c1cn(CCO)nn1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C24H24N4O5/c29-12-11-27-13-21(25-26-27)22(23(30)31)28(15-9-10-15)24(32)33-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20,22,29H,9-12,14H2,(H,30,31)
InChIKeyNHUGNUYVBSSWCM-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.81
Rot. Bonds8

About 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid

2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid (PubChem CID 103696873) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
PubChem CID103696873
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
SMILESO=C(O)C(c1cn(CCO)nn1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C24H24N4O5/c29-12-11-27-13-21(25-26-27)22(23(30)31)28(15-9-10-15)24(32)33-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20,22,29H,9-12,14H2,(H,30,31)
InChIKeyNHUGNUYVBSSWCM-UHFFFAOYSA-N
XLogP2.81
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103665683
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(2,6-dimethylphenyl)acetic acid
CID 103857654
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770752
2-(3-bromothiophen-2-yl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103829212
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
2-(1,3-dimethylpyrazol-4-yl)-2-[9H-fluoren-9-ylmethoxycarbonyl(propan-2-yl)amino]acetic acid
CID 103893223
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569959
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]propanoic acid
CID 165466336
2-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-2-(3-methylimidazol-4-yl)acetic acid
CID 103696692

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid (CID 103696873) is 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid is O=C(O)C(c1cn(CCO)nn1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1.
What is the InChIKey of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid?
The InChIKey is NHUGNUYVBSSWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c29-12-11-27-13-21(25-26-27)22(23(30)31)28(15-9-10-15)24(32)33-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20,22,29H,9-12,14H2,(H,30,31).
What are the key properties of 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid?
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid has a molecular weight of 448.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 103696873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).