(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid

C23H19NO4 — CID 7269367

IUPAC(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyPCJHOCNJLMFYCV-NRFANRHFSA-N
MW373.41 g/mol
LogP4.35
Rot. Bonds5

About (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid (PubChem CID 7269367) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid
PubChem CID7269367
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyPCJHOCNJLMFYCV-NRFANRHFSA-N
XLogP4.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid (CID 7269367) is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid?
The InChIKey is PCJHOCNJLMFYCV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid?
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid is sourced from PubChem (CID 7269367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).