(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid

C15H20ClNO4 — CID 107562859

IUPAC(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-4-5-12(13(18)19)17-14(20)15(2,3)21-11-8-6-10(16)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyQNMKCTNCXAHJSB-GFCCVEGCSA-N
MW313.78 g/mol
LogP2.87
Rot. Bonds7

About (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid

(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid (PubChem CID 107562859) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid
PubChem CID107562859
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C15H20ClNO4/c1-4-5-12(13(18)19)17-14(20)15(2,3)21-11-8-6-10(16)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyQNMKCTNCXAHJSB-GFCCVEGCSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid (CID 107562859) is (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid?
The InChIKey is QNMKCTNCXAHJSB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-4-5-12(13(18)19)17-14(20)15(2,3)21-11-8-6-10(16)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid?
(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid is sourced from PubChem (CID 107562859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).