2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid

C24H25N3O4 — CID 103569959

IUPAC2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1cnn(CC)c1
InChIInChI=1S/C24H25N3O4/c1-3-26-14-16(13-25-26)22(23(28)29)27(4-2)24(30)31-15-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-14,21-22H,3-4,15H2,1-2H3,(H,28,29)
InChIKeyXXCPMSGIAQLTPG-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.30
Rot. Bonds7

About 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid

2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid (PubChem CID 103569959) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
PubChem CID103569959
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
SMILESCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1cnn(CC)c1
InChIInChI=1S/C24H25N3O4/c1-3-26-14-16(13-25-26)22(23(28)29)27(4-2)24(30)31-15-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-14,21-22H,3-4,15H2,1-2H3,(H,28,29)
InChIKeyXXCPMSGIAQLTPG-UHFFFAOYSA-N
XLogP4.30
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103714182
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
2-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-2-(3-methylimidazol-4-yl)acetic acid
CID 103696692
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 102841167
2-(4-bromo-5-methylthiophen-2-yl)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 102841165
2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxy-4-methylpentanoic acid
CID 106676038
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-ethylsulfanylbutanoic acid
CID 104881865
2-(1,3-dimethylpyrazol-4-yl)-2-[9H-fluoren-9-ylmethoxycarbonyl(propan-2-yl)amino]acetic acid
CID 103893223
methyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methylpentanoate
CID 46930137
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid (CID 103569959) is 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid is CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1cnn(CC)c1.
What is the InChIKey of 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
The InChIKey is XXCPMSGIAQLTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-26-14-16(13-25-26)22(23(28)29)27(4-2)24(30)31-15-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-14,21-22H,3-4,15H2,1-2H3,(H,28,29).
What are the key properties of 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid?
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid has a molecular weight of 419.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 103569959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).