(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid

C20H17N3O4 — CID 122173745

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid
SMILESO=C(N[C@@H](C(=O)O)n1cccn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17N3O4/c24-19(25)18(23-11-5-10-21-23)22-20(26)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17-18H,12H2,(H,22,26)(H,24,25)/t18-/m1/s1
InChIKeyUZVSFNOZLUNTCX-GOSISDBHSA-N
MW363.37 g/mol
LogP3.01
Rot. Bonds5

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid (PubChem CID 122173745) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid
PubChem CID122173745
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid
SMILESO=C(N[C@@H](C(=O)O)n1cccn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17N3O4/c24-19(25)18(23-11-5-10-21-23)22-20(26)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17-18H,12H2,(H,22,26)(H,24,25)/t18-/m1/s1
InChIKeyUZVSFNOZLUNTCX-GOSISDBHSA-N
XLogP3.01
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-pyrazol-1-ylphenyl)propanoic acid
CID 146591605
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid
CID 91872875
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid (CID 122173745) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid is O=C(N[C@@H](C(=O)O)n1cccn1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid?
The InChIKey is UZVSFNOZLUNTCX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19(25)18(23-11-5-10-21-23)22-20(26)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17-18H,12H2,(H,22,26)(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid has a molecular weight of 363.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid is sourced from PubChem (CID 122173745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).