(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid

C23H27NO4 — CID 57376501

IUPAC(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid
SMILESCC(C)CC(N)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H27NO4/c1-14(2)11-15(24)12-20(22(25)26)23(27)28-13-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,14-15,20-21H,11-13,24H2,1-2H3,(H,25,26)/t15?,20-/m1/s1
InChIKeyIIXPQSJKBDBCHJ-YQYDADCPSA-N
MW381.47 g/mol
LogP3.81
Rot. Bonds8

About (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid

(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid (PubChem CID 57376501) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid
PubChem CID57376501
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid
SMILESCC(C)CC(N)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H27NO4/c1-14(2)11-15(24)12-20(22(25)26)23(27)28-13-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,14-15,20-21H,11-13,24H2,1-2H3,(H,25,26)/t15?,20-/m1/s1
InChIKeyIIXPQSJKBDBCHJ-YQYDADCPSA-N
XLogP3.81
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid?
The IUPAC name of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid (CID 57376501) is (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid?
The canonical SMILES for (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid is CC(C)CC(N)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid?
The InChIKey is IIXPQSJKBDBCHJ-YQYDADCPSA-N. The full InChI is InChI=1S/C23H27NO4/c1-14(2)11-15(24)12-20(22(25)26)23(27)28-13-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,14-15,20-21H,11-13,24H2,1-2H3,(H,25,26)/t15?,20-/m1/s1.
What are the key properties of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid?
(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid has a molecular weight of 381.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylheptanoic acid is sourced from PubChem (CID 57376501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).